SCHEMBL7844643

SCHEMBL7844643

NS(=O)(=O)c1ccc(-c2nc(C(=O)NCc3cc(Cl)cc(Cl)c3)sc2-c2ccc(F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.58
PTGS1 P23219 5/20 0.58
TP53 P04637 1/20 0.43
MDM2 Q00987 1/20 0.43
CA1 P00915 6/20 0.43
CA2 P00918 6/20 0.43
CA9 Q16790 3/20 0.43
CA12 O43570 2/20 0.43
MAOB P27338 1/20 0.43
ENPP2 Q13822 1/20 0.42
MAPT P10636 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7842378 1.00 PTGS2 (0.58) PTGS2PTGS1TP53MDM2CA1
SCHEMBL7843885 0.92 PTGS2 (0.53) PTGS2PTGS1TP53MDM2CA1
SCHEMBL7844142 0.92 PTGS2 (0.53) PTGS2PTGS1TP53MDM2CA1
SCHEMBL7839688 0.91 PTGS2 (0.53) PTGS2PTGS1TP53MDM2CA1
SCHEMBL7845271 0.91 PTGS2 (0.53) PTGS2PTGS1TP53MDM2CA1
SCHEMBL7846343 0.91 PTGS2 (0.49) PTGS2PTGS1CA1CA2CA9
SCHEMBL7842539 0.91 PTGS2 (0.49) PTGS2PTGS1CA1CA2CA9
SCHEMBL7843857 0.90 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL7844197 0.90 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL7845738 0.90 CA1 (0.54) PTGS2PTGS1CA1CA2CA9

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