SCHEMBL8985339

SCHEMBL8985339

CC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(F)cc2)s1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.67
PTGS2 P35354 8/20 0.51
PTGS1 P23219 5/20 0.50
USP10 Q14694 1/20 0.43
USP7 Q93009 1/20 0.43
USP47 Q96K76 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MT-CO1 P00395 1/20 0.42
MT-CO2 P00403 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 1/20 0.42
OPRD1 P41143 1/20 0.41

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
SCHEMBL8985520 0.88 MAPK14 (0.66) MAPK14PTGS2PTGS1OPRD1
SCHEMBL8985516 0.88 MAPK14 (0.83) MAPK14PTGS2PTGS1KDM4EMT-CO1
SCHEMBL8985366 0.87 MAPK14 (0.51) MAPK14PTGS2PTGS1TSHRMAPK1
SCHEMBL8985451 0.86 MAPK14 (0.50) MAPK14PTGS2PTGS1KDM4EMT-CO1
SCHEMBL8985447 0.86 MAPK14 (0.50) MAPK14PTGS2PTGS1KDM4EMT-CO1
SCHEMBL8985312 0.85 MAPK14 (0.48) MAPK14PTGS2PTGS1USP7USP47
SCHEMBL8985250 0.81 MAPK14 (0.73) MAPK14PTGS2PTGS1KDM4EMT-CO1
SCHEMBL8985321 0.81 MAPK14 (0.68) MAPK14PTGS2PTGS1KDM4EMT-CO1
SCHEMBL17542551 0.80 MAPK14 (1.00) MAPK14PTGS2PTGS1
SCHEMBL8985383 0.79 MAPK14 (0.70) MAPK14PTGS2PTGS1KDM4EOPRD1

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