SCHEMBL8985206

SCHEMBL8985206

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.54
PTGS2 P35354 7/20 0.54
PTGS1 P23219 3/20 0.54
KDM4E B2RXH2 3/20 0.51
HPGD P15428 2/20 0.51
NPC1 O15118 2/20 0.51
ALDH1A1 P00352 2/20 0.51
RAB9A P51151 2/20 0.51
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PLK1 P53350 1/20 0.46
OPRD1 P41143 1/20 0.45
IKBKB O14920 1/20 0.43
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL8985191 0.93 MAPK14 (0.60) MAPK14PTGS2PTGS1KDM4EHPGD
SCHEMBL8985250 0.85 MAPK14 (0.73) MAPK14PTGS2PTGS1KDM4EHPGD
SCHEMBL8985425 0.85 MAPK14 (0.52) MAPK14PTGS2PTGS1KDM4EHPGD
SCHEMBL8985276 0.85 OPRD1 (0.66) MAPK14PTGS2PTGS1KDM4EHPGD
SCHEMBL8985326 0.85 MAPK14 (0.52) MAPK14PTGS2PTGS1KDM4EHPGD
SCHEMBL8985386 0.84 PTGS2 (0.63) MAPK14PTGS2PTGS1KDM4EHPGD
SCHEMBL8985292 0.83 MAPK14 (0.57) MAPK14PTGS2PTGS1PLK1OPRD1
SCHEMBL8985225 0.83 MAPK14 (0.55) MAPK14PTGS2PTGS1KDM4EHPGD
SCHEMBL8985447 0.83 MAPK14 (0.50) MAPK14PTGS2PTGS1KDM4EHPGD
SCHEMBL8985415 0.83 PTGS2 (0.50) 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 1 patent. 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