SCHEMBL7787479

SCHEMBL7787479

COc1cccc(C(NC(C)c2ccc(F)c(F)c2)c2cc(N)ccc2OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CASR P41180 8/20 0.37
PFKFB3 Q16875 1/20 0.37
CYP2D6 P10635 1/20 0.36
PRKACA P17612 3/20 0.36
AKT1 P31749 3/20 0.36
ROCK1 Q13464 3/20 0.36
PRKG1 Q13976 3/20 0.36
MAP4K4 O95819 2/20 0.36
PRKCG P05129 2/20 0.36
CDK1 P06493 2/20 0.36
RPS6KB1 P23443 2/20 0.36
CDK2 P24941 2/20 0.36
MAPK1 P28482 2/20 0.36
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
IRAK1 P51617 2/20 0.36
RPS6KA3 P51812 2/20 0.36
PRKX P51817 2/20 0.36

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
SCHEMBL7787455 0.89 CYP2D6 (0.39) MEN1KMT2ACASRCYP2D6MAPK1
SCHEMBL7780363 0.86 CA1 (0.34) MEN1KMT2ACASRCYP2D6RPS6KB1
SCHEMBL7784937 0.85 KRAS (0.37) MEN1KMT2ACASRPFKFB3CYP2D6
SCHEMBL7785507 0.83 MAPT (0.40) MEN1KMT2ACYP2D6MAPK1ALDH1A1
SCHEMBL7780419 0.81 KRAS (0.43) KMT2ACASRALDH1A1CYP2C9CA1
SCHEMBL7784903 0.81 ALDH1A1 (0.37) MEN1KMT2ACASRMAPK1ALDH1A1
SCHEMBL7780432 0.80 ALDH1A1 (0.41) MEN1KMT2ACASRALDH1A1CYP3A4
SCHEMBL7780640 0.80 ALDH1A1 (0.41) MEN1KMT2ACASRALDH1A1CYP3A4
SCHEMBL7785127 0.80 ALDH1A1 (0.41) MEN1KMT2ACASRALDH1A1CYP3A4
SCHEMBL7801958 0.79 MEN1 (0.39) MEN1KMT2APRKACAAKT1ROCK1

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 disclosed
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