SCHEMBL7833933

SCHEMBL7833933

COc1ccc(-c2nc(-c3ccccc3Cl)sc2-c2ccc(S(N)(=O)=O)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.77
PTGS1 P23219 8/20 0.77
L3MBTL1 Q9Y468 1/20 0.48
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL7843865 1.00 PTGS2 (0.77) PTGS2PTGS1L3MBTL1CA12CA1
SCHEMBL7832739 0.90 PTGS2 (0.83) PTGS2PTGS1
SCHEMBL7846417 0.90 PTGS2 (0.83) PTGS2PTGS1
SCHEMBL7846396 0.90 PTGS2 (0.85) PTGS2PTGS1CA12CA1CA2
SCHEMBL7844945 0.89 PTGS2 (0.80) PTGS2PTGS1CA12CA1CA2
SCHEMBL7841574 0.89 PTGS2 (0.80) PTGS2PTGS1CA12CA1CA2
SCHEMBL7845239 0.89 PTGS2 (0.83) PTGS2PTGS1CA12CA1CA2
SCHEMBL7843002 0.89 PTGS2 (0.83) PTGS2PTGS1CA12CA1CA2
SCHEMBL7846602 0.89 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL7841035 0.89 PTGS2 (0.73) PTGS2PTGS1

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 2 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