SCHEMBL7842725

SCHEMBL7842725

NS(=O)(=O)c1ccc(-c2sc(N3CCCCC3)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.53
PTGS1 P23219 11/20 0.53
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
CA7 P43166 2/20 0.46

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
SCHEMBL15269348 0.88 PTGS2 (0.61) PTGS2PTGS1CA1CA2CA4
SCHEMBL7841860 0.88 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL27048230 0.80 ALDH1A1 (0.53) PTGS2
SCHEMBL7833848 0.78 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL7843215 0.78 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL15269145 0.77 PTGS2 (0.62) PTGS2PTGS1CA1CA2CA4
SCHEMBL15269415 0.77 PTGS2 (0.59) PTGS2PTGS1CA1CA2CA4
SCHEMBL15269079 0.76 PTGS2 (0.58) PTGS2PTGS1CA1CA2CA4
SCHEMBL7841695 0.76 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL15269177 0.76 PTGS2 (0.55) PTGS2PTGS1CA1CA2CA4

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