SCHEMBL7845271

SCHEMBL7845271

NS(=O)(=O)c1ccc(-c2sc(C(=O)NCc3ccc(Cl)cc3)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.53
PTGS1 P23219 4/20 0.53
MAPT P10636 1/20 0.51
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
TP53 P04637 3/20 0.48
ENPP2 Q13822 1/20 0.48
MDM2 Q00987 1/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ALOX12 P18054 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.47
MAOB P27338 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
SCHEMBL7839688 1.00 PTGS2 (0.53) PTGS2PTGS1MAPTCA1CA2
SCHEMBL7832892 0.95 CA1 (0.54) PTGS2PTGS1CA1CA2CA12
SCHEMBL7845738 0.95 CA1 (0.54) PTGS2PTGS1CA1CA2CA12
SCHEMBL7842378 0.91 PTGS2 (0.58) PTGS2PTGS1MAPTCA1CA2
SCHEMBL7844643 0.91 PTGS2 (0.58) PTGS2PTGS1MAPTCA1CA2
SCHEMBL7846006 0.90 PTGS2 (0.52) PTGS2PTGS1MAPTCA1CA2
SCHEMBL7842502 0.90 CA1 (0.55) PTGS2PTGS1CA1CA2CA12
SCHEMBL7840235 0.90 PTGS2 (0.66) PTGS2PTGS1MAPTTP53
SCHEMBL7846099 0.90 CA1 (0.55) PTGS2PTGS1CA1CA2CA12
SCHEMBL7844099 0.90 PTGS2 (0.52) PTGS2PTGS1MAPTCA1CA2

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