SCHEMBL7785252

SCHEMBL7785252

CC(NC(c1ccccc1)c1cccc(Nc2c(O)c(=O)c2=O)c1)c1ccc(F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 13/20 0.40
MAPK14 Q16539 1/20 0.40
CXCR2 P25025 2/20 0.36
PDPK1 O15530 1/20 0.36
AURKB Q96GD4 3/20 0.34
ROCK1 Q13464 2/20 0.34
PDGFRA P16234 2/20 0.34
MAPK1 P28482 2/20 0.34
CSNK1G1 Q9HCP0 2/20 0.34
DCLK1 O15075 1/20 0.34
ROCK2 O75116 1/20 0.34
CHEK2 O96017 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
IRAK1 P51617 1/20 0.34
PRKX P51817 1/20 0.34
NEK4 P51957 1/20 0.34
PLK1 P53350 1/20 0.34
CSNK1G2 P78368 1/20 0.34
CDC42BPA Q5VT25 1/20 0.34

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
Hydrochloric Acid SCHEMBL7785103 0.99 MAPKAPK2 (0.40) MAPKAPK2MAPK14CXCR2PDPK1AURKB
SCHEMBL7780735 0.95 MAPKAPK2 (0.38) MAPKAPK2MAPK14CXCR2PDPK1TEAD4
SCHEMBL7789434 0.95 MAPKAPK2 (0.38) MAPKAPK2MAPK14CXCR2PDPK1TEAD4
Hydrochloric Acid SCHEMBL7803654 0.94 MAPKAPK2 (0.37) MAPKAPK2MAPK14CXCR2PDPK1TEAD4
SCHEMBL7784941 0.94 S1PR3 (0.38) MAPKAPK2MAPK14CXCR2
Hydrochloric Acid SCHEMBL7801963 0.94 MAPKAPK2 (0.37) MAPKAPK2MAPK14CXCR2PDPK1TEAD4
SCHEMBL7801400 0.94 S1PR3 (0.38) MAPKAPK2MAPK14CXCR2
SCHEMBL7785139 0.94 S1PR3 (0.40) MAPKAPK2MAPK14CXCR2TEAD4
SCHEMBL7785672 0.93 S1PR3 (0.39) MAPKAPK2MAPK14CXCR2TEAD4
Hydrochloric Acid SCHEMBL7801207 0.93 S1PR3 (0.38) MAPKAPK2MAPK14CXCR2

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-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US claimed