SCHEMBL6587830

SCHEMBL6587830

O=C(Cc1cccc(F)c1)Nc1cccc(-c2n[nH]cc2CBr)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ANO1 Q5XXA6 1/20 0.47
ROCK2 O75116 1/20 0.46
GLS O94925 3/20 0.46
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
CFD P00746 1/20 0.43
P2RY14 Q15391 2/20 0.42
RET P07949 1/20 0.42
PRKACA P17612 1/20 0.41
ROCK1 Q13464 1/20 0.41
ALDH1A1 P00352 2/20 0.41
AURKB Q96GD4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL6587226 0.86 USP2 (0.56) MEN1KMT2AGLSMAPTP2RY14
SCHEMBL6586518 0.84 RAB9A (0.47) NPC1RAB9AANO1GLSSMN1; SMN2
SCHEMBL6589442 0.83 NLRP3 (0.61) MEN1KMT2AGLSSMN1; SMN2P2RY14
SCHEMBL6587745 0.81 KMT2A (0.56) MEN1KMT2AMAPTL3MBTL1SMN1; SMN2
SCHEMBL6587827 0.78 MAPT (0.49) MEN1KMT2ANPC1RAB9AANO1
SCHEMBL6588758 0.78 SMN1; SMN2 (0.58) MEN1KMT2AANO1ROCK2GLS
SCHEMBL6591224 0.78 SMN1; SMN2 (0.55) MEN1KMT2ANPC1RAB9AROCK2
SCHEMBL6084978 0.78 P2RY14 (0.61) NPC1RAB9AP2RY14ALDH1A1KDM4E
SCHEMBL6590589 0.77 ALDH1A1 (0.40) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL6587095 0.77 ROCK2 (0.49) NPC1RAB9AROCK2MAPTL3MBTL1

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