SCHEMBL8985262

SCHEMBL8985262

CN(C=O)c1ccc(-c2sc(Br)cc2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.65
PTGS1 P23219 2/20 0.65
KDM4E B2RXH2 1/20 0.65
MT-CO1 P00395 1/20 0.65
MT-CO2 P00403 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2C9 P11712 1/20 0.65
HPGD P15428 1/20 0.65
TSHR P16473 1/20 0.65
CYP2C19 P33261 1/20 0.65
HSD17B10 Q99714 1/20 0.65

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
SCHEMBL8985195 0.83 PTGS2 (0.47) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985332 0.82 PTGS1 (0.43) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985493 0.81 PTGS1 (0.41) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985472 0.81 AURKA (0.48) PTGS2PTGS1KDM4EMT-CO1MT-CO2
Dup-697 SCHEMBL1041241 0.79 PTGS2 (1.00) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL10567845 0.79 PTGS2 (1.00) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985314 0.79 PTGS2 (0.75) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985295 0.79 PTGS2 (0.67) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985260 0.78 PTGS2 (0.65) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985407 0.77 MAPK14 (0.51) 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 2 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