SCHEMBL8985227

SCHEMBL8985227

CS(=O)(=O)c1ccc(-c2cc(C(=O)Nc3nnn[nH]3)sc2-c2ccc(F)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.51
PTGS1 P23219 3/20 0.50
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
MAPK14 Q16539 3/20 0.47
IKBKB O14920 1/20 0.42

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
SCHEMBL8985386 0.80 PTGS2 (0.63) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985271 0.80 PTGS2 (0.57) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985283 0.77 PTGS2 (0.59) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985244 0.77 PTGS2 (0.62) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL12496526 0.77 PTGS2 (0.58) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985266 0.77 PTGS2 (0.58) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985321 0.77 MAPK14 (0.68) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985490 0.77 PTGS2 (0.67) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985243 0.76 PTGS2 (0.57) PTGS2PTGS1KDM4EMT-CO1MT-CO2
Dimethylamine SCHEMBL8985249 0.76 PTGS2 (0.57) 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