SCHEMBL7841716

SCHEMBL7841716

CS(=O)(=O)c1ccc(-c2nc(S(=O)(=O)c3cccc(Br)c3)sc2-c2ccc(F)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.60
PTGS1 P23219 4/20 0.56
KDM4E B2RXH2 1/20 0.50
MT-CO1 P00395 1/20 0.50
MT-CO2 P00403 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL7833625 1.00 PTGS2 (0.60) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL7844851 0.91 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL7846441 0.91 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL7844087 0.89 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL7841996 0.89 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL7844014 0.89 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL7847478 0.89 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL7841584 0.88 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL7840175 0.88 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL7845660 0.88 PTGS2 (0.70) 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