SCHEMBL8917487

SCHEMBL8917487

CS(=O)(=O)c1ccc(-n2nc(C(F)F)c3ccc4c[c]ccc4c32)cc1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.36
ALOX5 P09917 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
GRIA2 P42262 1/20 0.33
CYP2C9 P11712 1/20 0.33
PTGS1 P23219 1/20 0.33
GPR119 Q8TDV5 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
SCHEMBL8917786 0.89 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL8917301 0.83 PTGS2 (0.45) PTGS2ALOX5CYP2C9PTGS1
SCHEMBL8917478 0.82 CYP1A2 (0.47) PTGS2CYP1A2CYP2D6GRIA2CYP2C9
SCHEMBL8916673 0.82 PTGS2 (0.44) PTGS2ALOX5CYP2C9PTGS1
SCHEMBL8919630 0.81 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL8916712 0.81 PTGS2 (0.41) PTGS2ALOX5CYP2C9PTGS1
SCHEMBL8917466 0.81 PTGS2 (0.41) PTGS2ALOX5CYP2C9PTGS1
SCHEMBL8919075 0.80 PTGS2 (0.40) PTGS2ALOX5CYP2C9PTGS1
SCHEMBL8918771 0.79 PTGS2 (0.35) PTGS2ALOX5CYP2C9PTGS1
SCHEMBL8921429 0.79 PTGS2 (0.42) PTGS2ALOX5CYP2C9PTGS1

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