SCHEMBL8187489

SCHEMBL8187489

CSc1ccc(-c2[nH]nc(Cl)c2-c2cccc(C)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
CCNE2 O96020 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
PRKDC P78527 1/20 0.37
GSK3B P49841 1/20 0.37
MAPK14 Q16539 2/20 0.36
NOTUM Q6P988 1/20 0.36
IDO1 P14902 1/20 0.35

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
SCHEMBL8196909 0.86 IKBKB (0.43) MAPTMEN1LMNAKMT2ACCNE2
SCHEMBL8199933 0.83 IKBKB (0.37) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL8642444 0.80 GSK3B (0.45) MAPTMEN1LMNAKMT2AL3MBTL1
SCHEMBL8194840 0.80 MAPT (0.37) MAPTMEN1LMNAKMT2AATM
SCHEMBL8196103 0.79 GRK6 (0.38) MAPTMEN1LMNAKMT2AATM
SCHEMBL8188370 0.79 MAPK14 (0.39) MAPTMEN1LMNAKMT2AATM
SCHEMBL8639382 0.78 MAPK14 (0.44) GSK3BMAPK14ALOX5MAPK13MAPK12
SCHEMBL8201297 0.74 L3MBTL1 (0.37) MAPTMEN1LMNAKMT2AATM
SCHEMBL21507968 0.73 ENPP3 (0.46)
SCHEMBL8195709 0.73 GSK3B (0.41) CDK2GSK3BMAPK14NOTUMIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000018741-A2 PYRAZOLE COMPOUNDS AS COX-2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-06 WO disclosed