SCHEMBL6587221

SCHEMBL6587221

COc1cccc(CC(=O)Nc2cccc(-c3n[nH]c(C)c3Br)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 2/20 0.55
USP2 O75604 1/20 0.55
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
PRKACA P17612 3/20 0.50
ROCK1 Q13464 3/20 0.50
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
CCNA1 P78396 1/20 0.49
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 1/20 0.47
PDGFRB P09619 1/20 0.47
FLT4 P35916 1/20 0.47
BRAF P15056 1/20 0.47
GLS O94925 1/20 0.46

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
SCHEMBL6587827 0.86 MAPT (0.49) P2RY14MEN1KMT2ALMNAALDH1A1
SCHEMBL6588756 0.82 SMN1; SMN2 (0.56) P2RY14USP2MEN1KMT2ALMNA
SCHEMBL6589440 0.82 NLRP3 (0.58) P2RY14MEN1KMT2ACCNA2CDK2
SCHEMBL6587226 0.81 USP2 (0.56) P2RY14USP2MEN1KMT2APRKACA
SCHEMBL2950673 0.80 L3MBTL1 (0.62) P2RY14USP2MEN1KMT2APRKACA
SCHEMBL6587270 0.80 SMN1; SMN2 (0.50) MEN1KMT2APOLBHTTALDH1A1
SCHEMBL6585359 0.80 NPC1 (0.61) MEN1KMT2ACDK2POLBHTT
SCHEMBL6587743 0.80 GAA (0.57) MEN1KMT2ACDK2LMNAPOLB
SCHEMBL6587400 0.78 FPR2 (0.56) MEN1KMT2AROCK1LMNAHTT
SCHEMBL6586514 0.78 RAB9A (0.48) P2RY14LMNAALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1071701-A4 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF ARENA PHARM INC (US) 2004-04-21 EP disclosed
EP-1071701-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF Arena Pharmaceuticals, Inc. (US) 2001-01-31 EP disclosed
WO-1999052927-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF ARENA PHARMACEUTICALS, INC. (US) 1999-10-21 WO disclosed