SCHEMBL8985447

SCHEMBL8985447

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.50
PTGS2 P35354 6/20 0.50
PTGS1 P23219 3/20 0.50
KDM4E B2RXH2 3/20 0.47
HPGD P15428 3/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
PLK1 P53350 1/20 0.43
OPRD1 P41143 1/20 0.41
PLTP P55058 1/20 0.40
MT-CO1 P00395 1/20 0.40
MT-CO2 P00403 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL8985191 0.89 MAPK14 (0.60) MAPK14PTGS2PTGS1KDM4EHPGD
SCHEMBL8985339 0.86 MAPK14 (0.67) MAPK14PTGS2PTGS1KDM4EHPGD
SCHEMBL8985520 0.85 MAPK14 (0.66) MAPK14PTGS2PTGS1RAB9AOPRD1
SCHEMBL8985366 0.84 MAPK14 (0.51) MAPK14PTGS2PTGS1PLK1TSHR
SCHEMBL8985451 0.83 MAPK14 (0.50) MAPK14PTGS2PTGS1KDM4EHPGD
SCHEMBL8985206 0.83 MAPK14 (0.54) MAPK14PTGS2PTGS1KDM4EHPGD
SCHEMBL8985386 0.82 PTGS2 (0.63) MAPK14PTGS2PTGS1KDM4EHPGD
SCHEMBL8985415 0.81 PTGS2 (0.50) MAPK14PTGS2PTGS1KDM4EHPGD
SCHEMBL8985425 0.81 MAPK14 (0.52) MAPK14PTGS2PTGS1KDM4EHPGD
SCHEMBL8985326 0.81 MAPK14 (0.52) MAPK14PTGS2PTGS1KDM4EHPGD

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