SCHEMBL7843859

SCHEMBL7843859

CS(=O)(=O)c1ccccc1-c1nc(C(=O)NCc2cc(Cl)cc(Cl)c2)sc1-c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.43
MDM2 Q00987 1/20 0.43
PTGS2 P35354 10/20 0.43
PTGS1 P23219 1/20 0.42
MAOB P27338 2/20 0.41
CNR1 P21554 2/20 0.40
MAPK1 P28482 1/20 0.38
PIN1 Q13526 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL7843267 0.93 MAOB (0.48) TP53MDM2PTGS2PTGS1MAOB
SCHEMBL7844201 0.93 PTGS2 (0.43) TP53MDM2PTGS2MAOBCNR1
SCHEMBL7840239 0.92 TP53 (0.48) TP53MDM2PTGS2PTGS1MAOB
SCHEMBL7844199 0.92 PTGS2 (0.44) PTGS2PTGS1MAOBCNR1MAPT
SCHEMBL7846159 0.91 MAOB (0.47) TP53PTGS2MAOBCNR1MAPT
SCHEMBL7846336 0.90 PTGS2 (0.48) TP53MDM2PTGS2PTGS1MAOB
SCHEMBL7843454 0.88 MAOB (0.50) TP53PTGS2PTGS1MAOB
SCHEMBL7844443 0.88 MAOB (0.42) PTGS2PTGS1MAOB
SCHEMBL7832889 0.87 MAPT (0.47) TP53PTGS2MAOBMAPT
SCHEMBL7844960 0.86 PTGS2 (0.45) PTGS2PTGS1MAOBCNR1MAPT

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