SCHEMBL7846567

SCHEMBL7846567

CS(=O)(=O)c1ccc(-c2nc(NC(=O)Cc3cccc(F)c3)sc2-c2ccc(F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.57
PTGS2 P35354 12/20 0.56
PTGS1 P23219 1/20 0.54
PI4KB Q9UBF8 2/20 0.51
ROCK2 O75116 1/20 0.49
ACHE P22303 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL7842487 0.92 PTGS2 (0.55) RORCPTGS2PTGS1PI4KBROCK2
SCHEMBL7846410 0.91 RORC (0.68) RORCPTGS2PTGS1PI4KBMEN1
SCHEMBL7843818 0.91 RORC (0.68) RORCPTGS2PTGS1PI4KBMEN1
SCHEMBL7846573 0.86 PI4KB (0.51) RORCPTGS2PI4KBACHEMEN1
SCHEMBL7842695 0.83 PTGS2 (0.55) PTGS2PTGS1MEN1KMT2A
SCHEMBL7843314 0.83 PTGS2 (0.55) PTGS2PTGS1MEN1KMT2A
SCHEMBL7844179 0.82 RORC (0.66) RORCPTGS2PTGS1PI4KB
SCHEMBL7843108 0.82 RORC (0.66) RORCPTGS2PTGS1PI4KB
SCHEMBL7843450 0.80 PTGS2 (0.59) PTGS2PTGS1ROCK2
SCHEMBL7842482 0.80 PTGS2 (0.59) PTGS2PTGS1ROCK2

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