SCHEMBL7844179

SCHEMBL7844179

NS(=O)(=O)c1ccc(-c2sc(NC(=O)Cc3ccccc3)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 10/20 0.66
PI4KB Q9UBF8 1/20 0.53
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA9 Q16790 3/20 0.53
ADORA2A P29274 3/20 0.52
ADORA1 P30542 3/20 0.52
PTGS2 P35354 3/20 0.52
PTGS1 P23219 2/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 1/20 0.52
CA14 Q9ULX7 1/20 0.52
CA5B Q9Y2D0 1/20 0.52
RORB Q92753 1/20 0.52

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
SCHEMBL7843108 1.00 RORC (0.66) RORCPI4KBCA12CA1CA2
SCHEMBL7843818 0.90 RORC (0.68) RORCPI4KBADORA2AADORA1PTGS2
SCHEMBL7846410 0.90 RORC (0.68) RORCPI4KBADORA2AADORA1PTGS2
SCHEMBL7843934 0.85 SMN1; SMN2 (0.58) ADORA2AADORA1PTGS2PTGS1
SCHEMBL7832857 0.85 SMN1; SMN2 (0.58) ADORA2AADORA1PTGS2PTGS1
SCHEMBL7841561 0.83 PTGS2 (0.71) CA12CA1CA2CA9PTGS2
SCHEMBL2753572 0.82 RORC (0.74) RORCADORA2AADORA1PTGS2RORB
SCHEMBL7846567 0.82 RORC (0.57) RORCPI4KBPTGS2PTGS1
SCHEMBL7842901 0.81 SMN1; SMN2 (0.56) CA1CA2PTGS2PTGS1CA7
SCHEMBL7840997 0.81 SMN1; SMN2 (0.56) CA1CA2PTGS2PTGS1CA7

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