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Table 7 Medchem analysis of selected high scoring, promiscuous scaffolds

From: Badapple: promiscuity patterns from noisy evidence

Scaffold of well-known toxin toxoflavin present in Burkholderia glumae, it was also previously identified by workers at Abbott using the ALARM NMR assay as a thiol trap and cause of false positives in HTS [37]
Scaffold a 6H-anthra[1,9-cd]isoxazol-6-one is known to react with DMSO acting as a nucleophile and undergoes N–O cleavage of the isoxazole ring to form the ring opened anthraquinone, a species known to form covalent adducts [38]
Scaffold likely made by reaction of orthophenylene diamine with the corresponding furanyl alpha diketone. It could be a false positive if contaminated with the furanyl alpha diketone. It has only weak metal coordinating activity
Scaffold the synthesis of the tricyclic scaffold by a malononitrile cyclization with a 2-amino-3-formyl-4-oxo-4H-pyrido[1,2-a] pyrimidine suggests that the scaffold in this series may be susceptible to Michael attack at what was originally the formyl precursor carbon
Scaffold is reported to possess strong fluorescence, UV absorbance as well as strong mutagenic activity [39]. The phenyl-2-(2H-benzotriazol-2-yl) scaffold is also found in the photostabilizer Tinuvin P