SCHEMBL7780084

SCHEMBL7780084

COc1cccc(C(NC(C)c2ccc(F)c(F)c2)c2cc(Nc3c(OC(C)(C)C)c(=O)c3=O)ccc2OC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 3/20 0.38
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
POLB P06746 3/20 0.36
KCNB1 Q14721 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
CASR P41180 2/20 0.32
MAPK1 P28482 2/20 0.32
PRKACA P17612 2/20 0.32
AKT1 P31749 2/20 0.32
ROCK1 Q13464 2/20 0.32
PRKG1 Q13976 2/20 0.32
MAP4K4 O95819 1/20 0.32
PRKCG P05129 1/20 0.32
CDK1 P06493 1/20 0.32
RPS6KB1 P23443 1/20 0.32
CDK2 P24941 1/20 0.32
MARK3 P27448 1/20 0.32

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
SCHEMBL7787503 0.92 POLB (0.33) MAPKAPK2KMT2AMEN1POLBHTT
SCHEMBL7780518 0.89 MAPKAPK2 (0.34) MAPKAPK2POLBMAPK1ROCK1CDK1
SCHEMBL7789041 0.89 KMT2A (0.36) MAPKAPK2KMT2AMEN1POLBSMN1; SMN2
SCHEMBL7801958 0.87 MEN1 (0.39) MAPKAPK2KMT2AMEN1POLBKCNB1
SCHEMBL7780535 0.86 POLB (0.35) MAPKAPK2KMT2AMEN1POLBHTT
SCHEMBL7785270 0.85 KMT2A (0.38) MAPKAPK2KMT2AMEN1POLBSMN1; SMN2
SCHEMBL7787653 0.85 KMT2A (0.38) MAPKAPK2KMT2AMEN1POLBSMN1; SMN2
SCHEMBL7780305 0.85 KMT2A (0.38) MAPKAPK2KMT2AMEN1POLBSMN1; SMN2
SCHEMBL7780353 0.83 POLB (0.34) MAPKAPK2KMT2AMEN1POLBLMNA
SCHEMBL7784990 0.81 POLB (0.46) MAPKAPK2KMT2AMEN1POLBSMN1; SMN2

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 2 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
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed