SCHEMBL8915735

SCHEMBL8915735

CS(=O)(=O)c1ccc(-c2snnc2-c2cc(F)cc(F)c2)cc1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.80
PTGS1 P23219 5/20 0.46
KDM4E B2RXH2 1/20 0.45
MT-CO1 P00395 1/20 0.45
MT-CO2 P00403 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 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
SCHEMBL8915742 0.94 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL8918341 0.89 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8918347 0.89 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8918427 0.88 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL8918438 0.85 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL8917014 0.85 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL8917019 0.82 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL8918833 0.81 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL8918835 0.81 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL8918839 0.77 PTGS2 (0.62) 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
US-5677318-A Diphenyl-1,2-3-thiadiazoles as anti-inflammatory agents MERCK FROSST CANADA, INC. (CA) 1997-10-14 US claimed
US-5677318-A Diphenyl-1,2-3-thiadiazoles as anti-inflammatory agents MERCK FROSST CANADA, INC. (CA) 1997-10-14 US disclosed