SCHEMBL8985456

SCHEMBL8985456

CNc1ccc(-c2sc(C#N)cc2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.51
PTGS1 P23219 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MT-CO1 P00395 1/20 0.48
MT-CO2 P00403 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PIP4K2A P48426 1/20 0.45
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38

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
SCHEMBL8985189 0.84 PTGS2 (0.49) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8097094 0.84 PTGS2 (0.70) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985413 0.82 PTGS2 (0.71) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985497 0.81 APP (0.35) PTGS2
SCHEMBL8985195 0.78 PTGS2 (0.47) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL16965230 0.73 CA12 (0.57) PTGS2PTGS1CYP3A4HPGDHSD17B10
SCHEMBL2017578 0.72 CA12 (0.64) PTGS2PTGS1CYP3A4HPGDHSD17B10
SCHEMBL8985295 0.71 PTGS2 (0.67) PTGS2PTGS1KDM4EMT-CO1MT-CO2
Hydrochloric Acid SCHEMBL28024787 0.70 CA12 (0.61) PTGS2PTGS1CYP3A4HPGDHSD17B10
SCHEMBL8985337 0.69 PTGS2 (0.52) PTGS2PTGS1KDM4EMT-CO1MT-CO2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5571810-A ANTIINFLAMMATORY AGENTS, ANALGESICS, COLLAGEN DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-05 US disclosed
EP-0593761-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed
WO-1991019708-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-26 WO disclosed