SCHEMBL6586589

SCHEMBL6586589

COc1ccc(CNC(=O)Nc2cccc(-c3n[nH]c(C)c3Br)c2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.56
LMNA P02545 4/20 0.56
ROCK2 O75116 3/20 0.52
QPCT Q16769 2/20 0.51
MAPK1 P28482 4/20 0.49
ALDH1A1 P00352 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TSHR P16473 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44

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
SCHEMBL6585821 0.91 BRAF (0.47) SMN1; SMN2LMNAROCK2QPCTMAPK1
SCHEMBL6585359 0.89 NPC1 (0.61) SMN1; SMN2ROCK2MAPK1ALDH1A1L3MBTL1
SCHEMBL6587091 0.85 KIT (0.50) SMN1; SMN2ROCK2MAPK1MEN1KMT2A
SCHEMBL6591221 0.85 SMN1; SMN2 (0.54) SMN1; SMN2LMNAMAPK1ALDH1A1MEN1
SCHEMBL6586593 0.82 SMN1; SMN2 (0.59) SMN1; SMN2LMNAROCK2QPCTMAPK1
SCHEMBL6587400 0.81 FPR2 (0.56) LMNAROCK2MAPK1ALDH1A1MEN1
SCHEMBL4859619 0.81 SMN1; SMN2 (0.56) SMN1; SMN2LMNAROCK2QPCTALDH1A1
SCHEMBL6587933 0.80 RAB9A (0.48) MAPK1ALDH1A1MEN1KMT2AGAA
SCHEMBL6588756 0.78 SMN1; SMN2 (0.56) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL6588992 0.77 SMN1; SMN2 (0.36) SMN1; SMN2LMNAMAPK1ALDH1A1L3MBTL1

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