SCHEMBL6589442

SCHEMBL6589442

O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1cccc(-c2n[nH]cc2CBr)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 4/20 0.61
P2RY14 Q15391 5/20 0.58
EPHX2 P34913 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CCNA1 P78396 1/20 0.47
GLS O94925 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
BRAF P15056 1/20 0.43
CACNA1G O43497 1/20 0.43
CACNA1H O95180 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43
HTR2A P28223 1/20 0.42

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
SCHEMBL6588599 0.86 NPC1 (0.55) SMN1; SMN2MEN1KMT2ALMNAHTT
SCHEMBL6587830 0.83 MEN1 (0.47) P2RY14GLSSMN1; SMN2MEN1KMT2A
SCHEMBL6587745 0.82 KMT2A (0.56) SMN1; SMN2MEN1KMT2ALMNAHTT
SCHEMBL6589440 0.82 NLRP3 (0.58) NLRP3P2RY14EPHX2CCNA2CDK2
SCHEMBL6587226 0.81 USP2 (0.56) P2RY14CCNA2CDK2CCNA1GLS
SCHEMBL6586518 0.80 RAB9A (0.47) GLSSMN1; SMN2LMNA
SCHEMBL2954162 0.78 ALDH1A1 (0.59) NLRP3P2RY14EPHX2CCNA2CDK2
SCHEMBL6590589 0.77 ALDH1A1 (0.40) MEN1KMT2AHTT
SCHEMBL6588758 0.76 SMN1; SMN2 (0.58) P2RY14GLSSMN1; SMN2MEN1KMT2A
SCHEMBL6585363 0.74 NPC1 (0.59) CDK2SMN1; SMN2MEN1KMT2AHTT

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