SCHEMBL8917442

SCHEMBL8917442

C[S+]([O-])c1ccc2c(ccc3c(C(F)F)nn(-c4ccc(S(C)(=O)=O)cc4)c32)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.35
PIK3CD O00329 2/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PTGS1 P23219 2/20 0.34
MAPK14 Q16539 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
GRIA2 P42262 1/20 0.32
CYP2C9 P11712 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
ALOX5 P09917 1/20 0.32

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 0.85 PTGS2 (0.38) PTGS2PIK3CDPIK3CAPIK3CBPTGS1
SCHEMBL8917890 0.84 PTGS2 (0.40) PTGS2PIK3CDPIK3CAPIK3CBPTGS1
SCHEMBL8921405 0.84 PTGS2 (0.40) PTGS2PIK3CDPIK3CAPIK3CBPTGS1
SCHEMBL8916289 0.83 CYP1A2 (0.46) PTGS2PTGS1CYP1A2CYP2D6GRIA2
SCHEMBL8918255 0.82 PTGS2 (0.38) PTGS2PIK3CDPIK3CAPIK3CBPTGS1
SCHEMBL8918771 0.80 PTGS2 (0.35) PTGS2PIK3CDPIK3CAPIK3CBPTGS1
SCHEMBL8917817 0.78 PTGS2 (0.38) PTGS2PIK3CDPIK3CAPIK3CBPTGS1
SCHEMBL8919630 0.77 PTGS2 (0.44) PTGS2PIK3CDPIK3CAPIK3CBPTGS1
SCHEMBL8918665 0.77 PTGS2 (0.39) PTGS2PIK3CDPIK3CAPIK3CBPTGS1
SCHEMBL8918871 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5696143-A ARTHRITIS THERAPY G.D. SEARLE & CO. 1997-12-09 US disclosed
WO-1996009293-A1 BENZ[g]INDAZOLYL DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-28 WO disclosed