SCHEMBL8423624

SCHEMBL8423624

Cc1cc(C)c(-c2cc(-c3ccc(Cl)cc3)n(-c3ccc(S(C)(=O)=O)cc3)n2)c(C)c1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.69
PTGS1 P23219 3/20 0.54
CYP2C9 P11712 2/20 0.54
ALOX5 P09917 1/20 0.52
RARA P10276 1/20 0.50
RARB P10826 1/20 0.50
RARG P13631 1/20 0.50
RXRA P19793 1/20 0.50
CHRNA7 P36544 1/20 0.48
MALT1 Q9UDY8 1/20 0.48

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
SCHEMBL8422307 0.91 PTGS2 (0.69) PTGS2PTGS1CYP2C9ALOX5RARA
SCHEMBL8423607 0.91 PTGS2 (0.72) PTGS2PTGS1CYP2C9ALOX5CHRNA7
SCHEMBL8120314 0.90 PTGS2 (0.71) PTGS2PTGS1CYP2C9CHRNA7
SCHEMBL8423987 0.88 PTGS2 (0.75) PTGS2PTGS1CYP2C9ALOX5RARA
SCHEMBL8420798 0.87 PTGS2 (0.80) PTGS2PTGS1CYP2C9ALOX5RARA
SCHEMBL8424052 0.87 PTGS2 (0.80) PTGS2PTGS1CYP2C9ALOX5RARA
SCHEMBL8420804 0.87 PTGS2 (0.88) PTGS2PTGS1CYP2C9ALOX5RARA
SCHEMBL8420754 0.87 PTGS2 (0.66) PTGS2PTGS1CYP2C9ALOX5CHRNA7
SCHEMBL8420090 0.86 PTGS2 (0.78) PTGS2PTGS1CYP2C9ALOX5RARA
SCHEMBL8423065 0.84 PTGS2 (0.66) PTGS2PTGS1CYP2C9ALOX5CHRNA7

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