SCHEMBL8420022

SCHEMBL8420022

CS(=O)(=O)c1ccc(-n2nc(-c3ccc(Cl)cc3)c(C(F)F)c2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 8/20 0.55
PTGS2 P35354 16/20 0.51
FAAH O00519 1/20 0.46
KCNH2 Q12809 1/20 0.46
ALOX5 P09917 1/20 0.45

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
SCHEMBL8656461 0.89 PTGS2 (0.54) PTGS1PTGS2
SCHEMBL8423907 0.89 PTGS1 (0.56) PTGS1PTGS2FAAHKCNH2ALOX5
SCHEMBL8112369 0.88 PTGS2 (0.60) PTGS1PTGS2
SCHEMBL8420789 0.84 PTGS1 (0.58) PTGS1PTGS2FAAHKCNH2ALOX5
SCHEMBL8420728 0.84 PTGS1 (0.60) PTGS1PTGS2ALOX5
SCHEMBL8420778 0.83 PTGS1 (0.59) PTGS1PTGS2ALOX5
SCHEMBL8423780 0.81 PTGS1 (0.58) PTGS1PTGS2ALOX5
SCHEMBL8423846 0.81 PTGS1 (0.58) PTGS1PTGS2FAAHKCNH2ALOX5
SCHEMBL8765498 0.81 PTGS2 (0.51) PTGS1PTGS2
SCHEMBL8423994 0.81 PTGS2 (0.55) PTGS1PTGS2FAAHKCNH2

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