SCHEMBL7846064

SCHEMBL7846064

NS(=O)(=O)c1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3)sc2-c2ccc(F)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.59
PTGS1 P23219 5/20 0.59
CA1 P00915 6/20 0.51
CA2 P00918 6/20 0.51
CA12 O43570 4/20 0.51
CA9 Q16790 4/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FADS1 O60427 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
SCHEMBL7843501 1.00 PTGS2 (0.59) PTGS2PTGS1CA1CA2CA12
SCHEMBL7832452 0.91 PTGS2 (0.50) PTGS2PTGS1CA1CA2CA12
SCHEMBL7843515 0.91 PTGS2 (0.58) PTGS2PTGS1CA1CA2CA12
SCHEMBL7842908 0.91 PTGS2 (0.58) PTGS2PTGS1CA1CA2CA12
SCHEMBL7845065 0.91 PTGS2 (0.50) PTGS2PTGS1CA1CA2CA12
SCHEMBL7842577 0.90 PTGS2 (0.56) PTGS2PTGS1MEN1KMT2ALMNA
SCHEMBL7844200 0.90 PTGS2 (0.56) PTGS2PTGS1MEN1KMT2ALMNA
SCHEMBL7832860 0.89 PTGS2 (0.50) PTGS2PTGS1CA1CA2CA12
SCHEMBL7846576 0.89 PTGS2 (0.50) PTGS2PTGS1CA1CA2CA12
SCHEMBL7845614 0.88 PTGS2 (0.56) PTGS2PTGS1CA1CA2CA12

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1125932-A2 Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-22 EP disclosed
US-5668161-A Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 1997-09-16 US disclosed
EP-0772606-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003392-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed