SCHEMBL5697173

SCHEMBL5697173

O=C1COc2ccc(-c3c[nH]nc3-c3cccc(Cl)c3)cc2N1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.58
KMT2A Q03164 3/20 0.55
THRB P10828 1/20 0.54
RXFP1 Q9HBX9 1/20 0.52
POLB P06746 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
RAF1 P04049 1/20 0.46
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NR3C2 P08235 5/20 0.44
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
AR P10275 1/20 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
SCHEMBL4293610 0.89 RXFP1 (0.63) MAPTKMT2ATHRBRXFP1POLB
SCHEMBL5139733 0.81 KMT2A (0.53) MAPTKMT2ATHRBRXFP1POLB
SCHEMBL6168835 0.79 MAPT (0.53) MAPTKMT2ATHRBRXFP1POLB
SCHEMBL5697055 0.78 MAPT (0.53) MAPTKMT2ATHRBRXFP1POLB
SCHEMBL5697047 0.76 HTT (0.51) MAPTKMT2ATHRBMEN1
SCHEMBL4258401 0.74 ACLY (0.48) MAPTRAF1NR3C2PGR
SCHEMBL4271505 0.74 MAPT (0.74) MAPTKMT2ATHRBRXFP1POLB
SCHEMBL304764 0.73 MAPT (0.62) MAPTKMT2ARXFP1ALDH1A1HPGD
SCHEMBL24508666 0.73 CYP3A4 (0.58) MAPTKMT2APOLBALDH1A1
SCHEMBL4294282 0.72 RXFP1 (0.59) MAPTKMT2ATHRBRXFP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656367-A1 4- (HETEROCYCLYL- FUSED PHENYL)- 3- (PHENYL OR PYRID -2- YL) PYRAZOLES AS INHIBITORS OF THE ALK-5- RECEPTOR SmithKline Beecham Corporation (US) 2006-05-17 EP claimed
WO-2004111036-A1 4- (HETEROCYCLYL- FUSED PHENYL)- 3- (PHENYL OR PYRID -2- YL) PYRAZOLES AS INHIBITORS OF THE ALK-5- RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2004-12-23 WO claimed
EP-1656367-A1 4- (HETEROCYCLYL- FUSED PHENYL)- 3- (PHENYL OR PYRID -2- YL) PYRAZOLES AS INHIBITORS OF THE ALK-5- RECEPTOR SmithKline Beecham Corporation (US) 2006-05-17 EP disclosed
WO-2004111036-A1 4- (HETEROCYCLYL- FUSED PHENYL)- 3- (PHENYL OR PYRID -2- YL) PYRAZOLES AS INHIBITORS OF THE ALK-5- RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2004-12-23 WO disclosed