SCHEMBL8595696

SCHEMBL8595696

CS(=O)(=O)c1ccc(-n2cc(CCOc3ccc(Cl)cc3)nc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.80
PTGS1 P23219 3/20 0.58

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
SCHEMBL5594215 0.89 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL3243097 0.89 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5594630 0.87 PTGS2 (0.90) PTGS2PTGS1
SCHEMBL5593893 0.87 PTGS2 (0.90) PTGS2PTGS1
SCHEMBL5593986 0.86 PTGS2 (0.94) PTGS2PTGS1
SCHEMBL5594443 0.84 PTGS2 (0.90) PTGS2PTGS1
SCHEMBL5594544 0.84 PTGS2 (0.90) PTGS2PTGS1
SCHEMBL5594627 0.84 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL5593864 0.84 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL5594991 0.83 PTGS2 (0.80) PTGS2PTGS1

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
EP-0880504-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-12-02 EP disclosed
WO-1997027181-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-07-31 WO disclosed