SCHEMBL365020

SCHEMBL365020

COc1cc(C(C)=O)cc2c1c(C(N)=O)c1ccccn12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 3/20 0.43
BAZ2A Q9UIF9 3/20 0.43
NPC1 O15118 3/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL367765 0.93 NPC1 (0.43) BAZ2BBAZ2ANPC1GAAATM
SCHEMBL365272 0.90 CA12 (0.42) BAZ2BBAZ2ANPC1GAAATM
SCHEMBL366558 0.89 NPC1 (0.42) BAZ2BBAZ2ANPC1GAAATM
SCHEMBL366817 0.87 NPC1 (0.39) BAZ2BBAZ2ANPC1GAAATM
SCHEMBL367749 0.85 NPC1 (0.41) BAZ2BBAZ2ANPC1GAAATM
SCHEMBL365191 0.85 MKNK2 (0.40) BAZ2BBAZ2ANPC1GAAATM
SCHEMBL365770 0.84 BAZ2B (0.45) BAZ2BBAZ2AMAPTKDM4EALDH1A1
SCHEMBL365175 0.81 NPC1 (0.43) NPC1GAAATMRXFP1MAPT
SCHEMBL367759 0.80 STS (0.41) NPC1GAAATMRXFP1MAPT
SCHEMBL365489 0.78 KMT2A (0.36) ALDH1A1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed