SCHEMBL7846410

SCHEMBL7846410

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

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.68
PTGS2 P35354 7/20 0.64
PTGS1 P23219 1/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
KMT2A Q03164 1/20 0.57
HSD17B10 Q99714 1/20 0.57
PI4KB Q9UBF8 1/20 0.56
ADORA2A P29274 2/20 0.54
ADORA1 P30542 2/20 0.54
RORB Q92753 1/20 0.54

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
SCHEMBL7843818 1.00 RORC (0.68) RORCPTGS2PTGS1MEN1ALDH1A1
SCHEMBL7846567 0.91 RORC (0.57) RORCPTGS2PTGS1MEN1ALDH1A1
SCHEMBL7844179 0.90 RORC (0.66) RORCPTGS2PTGS1PI4KBADORA2A
SCHEMBL7843108 0.90 RORC (0.66) RORCPTGS2PTGS1PI4KBADORA2A
SCHEMBL7842487 0.89 PTGS2 (0.55) RORCPTGS2PTGS1PI4KB
SCHEMBL7846413 0.86 RORC (0.56) RORCPTGS2MEN1ALDH1A1KMT2A
SCHEMBL7843820 0.86 RORC (0.56) RORCPTGS2MEN1ALDH1A1KMT2A
SCHEMBL7842479 0.85 PTGS2 (0.62) PTGS2PTGS1MEN1ALDH1A1KMT2A
SCHEMBL7846124 0.85 PTGS2 (0.62) PTGS2PTGS1MEN1ALDH1A1KMT2A
SCHEMBL216750 0.83 PTGS2 (0.69) 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