SCHEMBL7787667

SCHEMBL7787667

COc1ccc(C(NC(C)c2ccccc2)c2cccc(Nc3c(N)c(=O)c3=O)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 9/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.44
ACP3 P15309 2/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
AURKB Q96GD4 3/20 0.37
ROCK1 Q13464 2/20 0.37
PDGFRA P16234 2/20 0.37
MAPK1 P28482 2/20 0.37
CSNK1G1 Q9HCP0 2/20 0.37
PLK1 P53350 2/20 0.37
DCLK1 O15075 1/20 0.37
ROCK2 O75116 1/20 0.37
CHEK2 O96017 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
IRAK1 P51617 1/20 0.37

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
SCHEMBL7780703 0.93 MEN1 (0.42) MAPKAPK2MEN1KMT2APOLBACP3
SCHEMBL7787529 0.92 MAPKAPK2 (0.44) MAPKAPK2MEN1KMT2APOLBAURKB
SCHEMBL7787601 0.91 MAPKAPK2 (0.45) MAPKAPK2AURKBROCK1PDGFRAMAPK1
SCHEMBL7787683 0.91 MAPKAPK2 (0.45) MAPKAPK2AURKBROCK1PDGFRAMAPK1
SCHEMBL7780560 0.90 ALDH1A1 (0.44) MAPKAPK2MEN1KMT2APOLBACP3
SCHEMBL7787655 0.90 ALDH1A1 (0.44) MAPKAPK2MEN1KMT2APOLBACP3
SCHEMBL7780389 0.90 KMT2A (0.41) MAPKAPK2MEN1KMT2APOLBACP3
SCHEMBL7785675 0.89 KMT2A (0.40) MAPKAPK2MEN1KMT2APOLBACP3
SCHEMBL7787770 0.89 KMT2A (0.40) MAPKAPK2MEN1KMT2APOLBACP3
SCHEMBL7785696 0.89 KMT2A (0.40) MAPKAPK2MEN1KMT2APOLBACP3

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 5 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
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN claimed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP claimed
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed