SCHEMBL7785292

SCHEMBL7785292

CC(NC(c1ccc(F)cc1)c1cccc(Nc2c(O)c(=O)c2=O)c1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 12/20 0.45
MAPK14 Q16539 1/20 0.41
TEAD4 Q15561 2/20 0.41
MTOR P42345 1/20 0.40
NPC1 O15118 1/20 0.38
AURKB Q96GD4 3/20 0.38
ROCK1 Q13464 2/20 0.38
PDGFRA P16234 2/20 0.38
MAPK1 P28482 2/20 0.38
CSNK1G1 Q9HCP0 2/20 0.38
DCLK1 O15075 1/20 0.38
ROCK2 O75116 1/20 0.38
CHEK2 O96017 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
IRAK1 P51617 1/20 0.38
PRKX P51817 1/20 0.38
NEK4 P51957 1/20 0.38
PLK1 P53350 1/20 0.38
CSNK1G2 P78368 1/20 0.38

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 SCHEMBL7780496 0.99 MAPKAPK2 (0.44) MAPKAPK2MAPK14TEAD4MTORNPC1
SCHEMBL7785092 0.93 MAPKAPK2 (0.45) MAPKAPK2MAPK14AURKBROCK1PDGFRA
SCHEMBL7789354 0.93 MAPKAPK2 (0.45) MAPKAPK2MAPK14AURKBROCK1PDGFRA
SCHEMBL7785305 0.93 MAPKAPK2 (0.42) MAPKAPK2MAPK14TEAD4MTORPTGER4
SCHEMBL7805555 0.93 MAPKAPK2 (0.38) MAPKAPK2MAPK14TEAD4
SCHEMBL7785267 0.93 MAPKAPK2 (0.38) MAPKAPK2MAPK14TEAD4
SCHEMBL7785614 0.93 MAPKAPK2 (0.42) MAPKAPK2MAPK14TEAD4MTORPTGER4
Hydrochloric Acid SCHEMBL7780386 0.92 MAPKAPK2 (0.41) MAPKAPK2MAPK14TEAD4MTORPTGER4
Hydrochloric Acid SCHEMBL7795475 0.92 MAPKAPK2 (0.38) MAPKAPK2MAPK14TEAD4
SCHEMBL7787894 0.91 MAPKAPK2 (0.47) MAPKAPK2MAPK14TEAD4MTORAURKB

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-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US claimed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP claimed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed