SCHEMBL3401265

SCHEMBL3401265

COc1ccc(Cl)cc1C(=O)NC1COCCn2c1nc(-c1ccncc1)cc2=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.44
MAPT P10636 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MTOR P42345 5/20 0.40
GPR55 Q9Y2T6 1/20 0.39
NPC1 O15118 1/20 0.37
DRD2 P14416 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL3398468 0.94 MTOR (0.40) KCNMA1POLBKDM4EALDH1A1MTOR
SCHEMBL3425658 0.90 KCNMA1 (0.40) KCNMA1MAPTMEN1KMT2APOLB
SCHEMBL2066338 0.88 KCNMA1 (0.46) KCNMA1MAPTMEN1KMT2APOLB
SCHEMBL3663942 0.85 KCNMA1 (0.44) KCNMA1MAPTPOLBALDH1A1DRD2
SCHEMBL3397799 0.85 GSK3B (0.44) MTOR
SCHEMBL927355 0.83 GSK3B (0.39) MTOR
SCHEMBL2066032 0.83 F10 (0.45) KCNMA1MAPTALOX15
SCHEMBL3402354 0.83 RAB9A (0.36) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL3660413 0.82 KCNMA1 (0.41) KCNMA1MAPTPOLBALDH1A1DRD2
SCHEMBL3668510 0.82 DRD4 (0.45) KCNMA1MAPTPOLBDRD2

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
EP-2247599-A1 SUBSTITUTED ARYLAMIDE OXAZEPINOPYRIMIDONE DERIVATIVES Sanofi-Aventis (FR) 2010-11-10 EP disclosed
WO-2009095788-A1 SUBSTITUTED ARYLAMIDE OXAZEPINOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-08-06 WO disclosed