SCHEMBL8985191

SCHEMBL8985191

CNC(=O)c1cc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.60
KDM4E B2RXH2 4/20 0.57
HPGD P15428 3/20 0.57
NPC1 O15118 2/20 0.57
ALDH1A1 P00352 2/20 0.57
RAB9A P51151 2/20 0.57
PTGS2 P35354 7/20 0.56
PTGS1 P23219 4/20 0.56
MAPT P10636 2/20 0.52
HSD17B10 Q99714 2/20 0.52
HTT P42858 1/20 0.52
PLK1 P53350 1/20 0.51
OPRD1 P41143 1/20 0.50
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MT-CO1 P00395 1/20 0.45
MT-CO2 P00403 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL8985206 0.93 MAPK14 (0.54) MAPK14KDM4EHPGDNPC1ALDH1A1
SCHEMBL8985425 0.91 MAPK14 (0.52) MAPK14KDM4EHPGDNPC1ALDH1A1
SCHEMBL8985326 0.91 MAPK14 (0.52) MAPK14KDM4EHPGDNPC1ALDH1A1
SCHEMBL8985276 0.91 OPRD1 (0.66) MAPK14KDM4EHPGDNPC1ALDH1A1
SCHEMBL8985386 0.90 PTGS2 (0.63) MAPK14KDM4EHPGDPTGS2PTGS1
SCHEMBL8985447 0.89 MAPK14 (0.50) MAPK14KDM4EHPGDNPC1ALDH1A1
SCHEMBL8985415 0.89 PTGS2 (0.50) MAPK14KDM4EHPGDNPC1ALDH1A1
SCHEMBL8985371 0.88 PTGS2 (0.57) MAPK14KDM4EHPGDNPC1ALDH1A1
SCHEMBL8985269 0.88 MAPK14 (0.49) MAPK14KDM4EHPGDNPC1ALDH1A1
SCHEMBL8985285 0.88 PTGS2 (0.52) MAPK14KDM4EHPGDNPC1ALDH1A1

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