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Sugi Predict / Compounds / SCHEMBL8420757

SCHEMBL8420757

SCHEMBL8420757

Cc1ccccc1-c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(C)(=O)=O)cc2)n1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 17/20 0.67
▸ ALOX5 P09917 1/20 0.57
▸ PTGS1 P23219 2/20 0.53
▸ CYP2C9 P11712 2/20 0.51

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
SCHEMBL8421642 0.91 PTGS2 (0.67) PTGS2ALOX5PTGS1CYP2C9
SCHEMBL8122502 0.90 PTGS2 (0.69) PTGS2PTGS1CYP2C9
SCHEMBL8423791 0.90 PTGS2 (0.69) PTGS2ALOX5PTGS1CYP2C9
SCHEMBL8421818 0.89 PTGS2 (0.71) PTGS2ALOX5PTGS1CYP2C9
SCHEMBL8420754 0.88 PTGS2 (0.66) PTGS2ALOX5PTGS1CYP2C9
SCHEMBL8424000 0.88 PTGS2 (0.69) PTGS2ALOX5PTGS1CYP2C9
SCHEMBL8420076 0.88 PTGS2 (0.69) PTGS2ALOX5PTGS1CYP2C9
SCHEMBL8423065 0.88 PTGS2 (0.66) PTGS2ALOX5PTGS1CYP2C9
SCHEMBL8423607 0.88 PTGS2 (0.72) PTGS2ALOX5PTGS1CYP2C9
SCHEMBL8420828 0.86 PTGS2 (0.80) PTGS2ALOX5PTGS1CYP2C9

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-5908852-A 1,3,5 trisubstituted pyrazole compounds for treatment of inflammation G. D. SEARLE & CO. (US) 1999-06-01 — — US disclosed
US-5434178-A 1,3,5 trisubstituted pyrazole compounds for treatment of inflammation G.D. SEARLE & CO. (US) 1995-07-18 — — US disclosed