SCHEMBL2762136

SCHEMBL2762136

COc1ccc2nc(C(=O)NN)sc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.67
MAOB P27338 4/20 0.65
MAOA P21397 1/20 0.65
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C19 P33261 2/20 0.58
HTT P42858 1/20 0.58
DYRK1A Q13627 1/20 0.58
SCD O00767 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
CASP2 P42575 1/20 0.56
TSHR P16473 1/20 0.55
HSD17B1 P14061 1/20 0.55
HSD17B2 P37059 1/20 0.55
PDK1 Q15118 1/20 0.55
ATAD2 Q6PL18 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7158014 0.84 MAPT (0.64) MAPTMAOBMAOANPC1RAB9A
SCHEMBL3086399 0.84 MAPT (0.61) MAPTMAOBMAOANPC1RAB9A
SCHEMBL3634489 0.82 HSD17B1 (0.63) MAPTMAOBMAOANPC1RAB9A
SCHEMBL14346517 0.80 MAOB (0.72) MAPTMAOBNPC1RAB9ASCD
SCHEMBL6981089 0.79 MAPT (0.56) MAPTMAOBMAOANPC1RAB9A
SCHEMBL31410 0.79 HSD17B1 (0.73) MAPTMAOBMAOANPC1RAB9A
SCHEMBL25219927 0.78 MAOB (0.57) MAPTMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL25222888 0.78 RAB9A (0.54) MAPTMAOBNPC1RAB9ACYP1A2
SCHEMBL30039909 0.78 MAOB (0.57) MAPTMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL30039643 0.78 SMYD3 (0.60) MAPTMAOBNPC1RAB9ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010150927-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF CANCER DISEASES COMPRISING BENZAMIDE DERIVATIVES SK HOLDINGS CO., LTD. (KR) 2010-12-29 WO disclosed