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Sugi Predict / Compounds / SCHEMBL8423907

SCHEMBL8423907

SCHEMBL8423907

CC(C)c1c(-c2ccc(Cl)cc2)nn(-c2ccc(S(C)(=O)=O)cc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 10/20 0.56
▸ PTGS2 P35354 17/20 0.51
▸ ALOX5 P09917 1/20 0.46
▸ FAAH O00519 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44

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
SCHEMBL8124085 0.89 PTGS2 (0.57) PTGS1PTGS2
SCHEMBL8420022 0.89 PTGS1 (0.55) PTGS1PTGS2ALOX5FAAHKCNH2
SCHEMBL8420728 0.85 PTGS1 (0.60) PTGS1PTGS2ALOX5
SCHEMBL8420778 0.84 PTGS1 (0.59) PTGS1PTGS2ALOX5
SCHEMBL8423846 0.82 PTGS1 (0.58) PTGS1PTGS2ALOX5FAAHKCNH2
SCHEMBL8420789 0.82 PTGS1 (0.58) PTGS1PTGS2ALOX5FAAHKCNH2
SCHEMBL8423780 0.82 PTGS1 (0.58) PTGS1PTGS2ALOX5
SCHEMBL8423926 0.81 PTGS1 (0.57) PTGS1PTGS2ALOX5FAAHKCNH2
SCHEMBL8420080 0.81 PTGS2 (0.59) PTGS1PTGS2
SCHEMBL8656461 0.81 PTGS2 (0.54) PTGS1PTGS2

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