SCHEMBL8985284

SCHEMBL8985284

O=[N+]([O-])c1ccc(-c2cc(Br)sc2-c2ccc(F)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.63
PTGS1 P23219 5/20 0.63
KDM4E B2RXH2 1/20 0.63
MT-CO1 P00395 1/20 0.63
MT-CO2 P00403 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C9 P11712 1/20 0.63
HPGD P15428 1/20 0.63
TSHR P16473 1/20 0.63
CYP2C19 P33261 1/20 0.63
HSD17B10 Q99714 1/20 0.63
MAPK14 Q16539 4/20 0.44
GCGR P47871 1/20 0.44
HSPB1 P04792 1/20 0.44
APP P05067 1/20 0.42
POLB P06746 1/20 0.41
XDH P47989 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
SCHEMBL6483621 0.84 PTGS2 (0.71) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985340 0.82 PTGS2 (0.70) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985460 0.82 PTGS2 (0.46) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985420 0.81 PTGS2 (0.50) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985520 0.80 MAPK14 (0.66) PTGS2PTGS1MAPK14GCGRHSPB1
SCHEMBL8985339 0.79 MAPK14 (0.67) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985366 0.79 MAPK14 (0.51) PTGS2PTGS1TSHRMAPK14GCGR
SCHEMBL16285923 0.79 APP (0.50) CYP1A2CYP3A4CYP2C19HSD17B10APP
SCHEMBL8265994 0.77 PTGS2 (0.67) PTGS2PTGS1KDM4EMT-CO1MT-CO2
Dup-697 SCHEMBL1041241 0.77 PTGS2 (1.00) 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