SCHEMBL8917890

SCHEMBL8917890

Cc1ccc2c(ccc3c(C(F)F)nn(-c4ccc(S(C)(=O)=O)cc4)c32)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.40
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
ALOX5 P09917 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
GRIA2 P42262 1/20 0.37
CYP2C9 P11712 1/20 0.37
PTGS1 P23219 3/20 0.36

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
SCHEMBL8920821 0.89 PTGS2 (0.38) PTGS2PIK3CDPIK3CAPIK3CBALOX5
SCHEMBL8921405 0.88 PTGS2 (0.40) PTGS2PIK3CDPIK3CAPIK3CBPTGS1
SCHEMBL8918665 0.87 PTGS2 (0.39) PTGS2PIK3CDPIK3CAPIK3CBALOX5
SCHEMBL8918255 0.85 PTGS2 (0.38) PTGS2PIK3CDPIK3CAPIK3CBPTGS1
SCHEMBL8917442 0.84 PTGS2 (0.35) PTGS2PIK3CDPIK3CAPIK3CBALOX5
SCHEMBL8917350 0.81 CYP1A2 (0.52) PTGS2CYP1A2CYP2D6GRIA2CYP2C9
SCHEMBL8917817 0.81 PTGS2 (0.38) PTGS2PIK3CDPIK3CAPIK3CBALOX5
SCHEMBL8919630 0.81 PTGS2 (0.44) PTGS2PIK3CDPIK3CAPIK3CBPTGS1
SCHEMBL8917301 0.80 PTGS2 (0.45) PTGS2PIK3CDPIK3CAPIK3CBALOX5
SCHEMBL8918664 0.77 PTGS2 (0.47) PTGS2PTGS1

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
US-5696143-A ARTHRITIS THERAPY G.D. SEARLE & CO. 1997-12-09 US disclosed