SCHEMBL8918255

SCHEMBL8918255

CSc1ccc2c(ccc3c(C(F)F)nn(-c4ccc(S(C)(=O)=O)cc4)c32)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.38
PIK3CD O00329 2/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PTGS1 P23219 3/20 0.34
FAAH O00519 1/20 0.33
KCNH2 Q12809 1/20 0.33

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 0.86 PTGS2 (0.38) PTGS2PIK3CDPIK3CAPIK3CBPTGS1
SCHEMBL8921405 0.85 PTGS2 (0.40) PTGS2PIK3CDPIK3CAPIK3CBPTGS1
SCHEMBL8917890 0.85 PTGS2 (0.40) PTGS2PIK3CDPIK3CAPIK3CBPTGS1
SCHEMBL8917448 0.83 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL8917442 0.82 PTGS2 (0.35) PTGS2PIK3CDPIK3CAPIK3CBPTGS1
SCHEMBL8919075 0.79 PTGS2 (0.40) PTGS2PIK3CDPIK3CAPIK3CBPTGS1
SCHEMBL8917817 0.78 PTGS2 (0.38) PTGS2PIK3CDPIK3CAPIK3CBPTGS1
SCHEMBL8919630 0.78 PTGS2 (0.44) PTGS2PIK3CDPIK3CAPIK3CBPTGS1
SCHEMBL8918665 0.77 PTGS2 (0.39) PTGS2PIK3CDPIK3CAPIK3CBPTGS1
SCHEMBL8917301 0.75 PTGS2 (0.45) PTGS2PIK3CDPIK3CAPIK3CBPTGS1

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