SCHEMBL7846877

SCHEMBL7846877

CS(=O)(=O)c1ccccc1-c1sc(Nc2cc(Cl)cc(Cl)c2)nc1-c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.55
PTGS2 P35354 13/20 0.47
DHODH Q02127 1/20 0.43
ALOX5 P09917 2/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41
PTGS1 P23219 2/20 0.40
KDM1A O60341 1/20 0.40

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
SCHEMBL7839882 0.85 KMT2A (0.46) PTGS2ALOX5PTGDR2
SCHEMBL7844350 0.83 PTGS2 (0.45) APEX1PTGS2ALOX5PTGS1
SCHEMBL7833915 0.83 PTGS2 (0.62) APEX1PTGS2PTGS1
SCHEMBL7840342 0.83 PTGS2 (0.48) PTGS2ALOX5PTGS1
SCHEMBL7845249 0.83 PTGS2 (0.50) PTGS2ALOX5PTGS1
SCHEMBL7832496 0.82 KMT2A (0.51) PTGS2ALOX5PTGDR2
SCHEMBL7846460 0.82 PTGDR2 (0.57) PTGS2ALOX5PTGDR2
SCHEMBL7845455 0.82 PTGDR2 (0.46) PTGS2ALOX5PTGDR2
SCHEMBL7844602 0.82 PTGS2 (0.47) PTGS2ALOX5PTGS1
SCHEMBL7842558 0.80 PTGS2 (0.48) PTGS2ALOX5PTGS1

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