SCHEMBL6586829

SCHEMBL6586829

CSc1ccc(NC(=O)Nc2cccc(-c3n[nH]c(C)c3Br)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
KDR P35968 7/20 0.46
PDGFRA P16234 6/20 0.46
AURKA O14965 1/20 0.45
PDGFRB P09619 2/20 0.45
ROCK1 Q13464 2/20 0.45
NTRK2 Q16620 2/20 0.45
AURKB Q96GD4 2/20 0.45

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
SCHEMBL6590232 0.87 CNR1 (0.59) MAPTPDGFRBROCK1NTRK2AURKB
SCHEMBL6587567 0.85 CNR1 (0.56) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL6588831 0.85 MEN1 (0.52) MAPTMEN1KMT2ATP53SMN1; SMN2
SCHEMBL6590857 0.81 RAF1 (0.50) SMN1; SMN2KDRPDGFRAAURKAPDGFRB
SCHEMBL6198977 0.81 HTR2A (0.59) MAPTMEN1KMT2ATP53KDR
SCHEMBL2961055 0.78 L3MBTL1 (0.59) MAPTMEN1KMT2ATP53SMN1; SMN2
SCHEMBL6585533 0.78 MEN1 (0.53) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL6587091 0.77 KIT (0.50) MEN1KMT2ATP53SMN1; SMN2MAPK1
SCHEMBL6590586 0.77 PDE5A (0.43) MAPTMEN1KMT2AMAPK1KDR
SCHEMBL6587933 0.76 RAB9A (0.48) MAPTMEN1KMT2AMAPK1AURKA

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 5 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-1244632-A1 PYRAZOLE DERIVATIVES WHICH MODULATE HUMAN SEROTONIN RECEPTORS Arena Pharmaceuticals, Inc. (US) 2002-10-02 EP disclosed
WO-2001029008-A1 PYRAZOLE DERIVATIVES WHICH MODULATE HUMAN SEROTONIN RECEPTORS ARENA PHARMACEUTICALS, INC. (US) 2001-04-26 WO 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