SCHEMBL7787539

SCHEMBL7787539

COc1cc(OC)cc(C(C)NC(c2ccc(F)cc2)c2cccc(Nc3c(OC(C)(C)C)c(=O)c3=O)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
POLB P06746 3/20 0.41
MAPKAPK2 P49137 8/20 0.38
ALDH1A1 P00352 3/20 0.33
LMNA P02545 3/20 0.33
TSHR P16473 2/20 0.33
GAA P10253 2/20 0.33
GFER P55789 1/20 0.33
MAPK14 Q16539 1/20 0.33
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MITF O75030 1/20 0.31
MAPT P10636 1/20 0.31
PLK1 P53350 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31

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
SCHEMBL7787694 0.94 KMT2A (0.41) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7784926 0.91 KMT2A (0.38) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7787853 0.91 KMT2A (0.38) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7780520 0.91 MAPKAPK2 (0.38) KMT2AMEN1POLBMAPKAPK2MAPK14
SCHEMBL7785039 0.90 MAPKAPK2 (0.43) KMT2AMEN1POLBMAPKAPK2MAPK14
SCHEMBL7784925 0.89 ALDH1A1 (0.41) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7784913 0.89 MAPKAPK2 (0.36) KMT2AMEN1POLBMAPKAPK2MAPK14
SCHEMBL7787702 0.89 MAPKAPK2 (0.36) KMT2AMEN1POLBMAPKAPK2MAPK14
SCHEMBL7785265 0.89 MAPKAPK2 (0.41) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7787598 0.89 MAPKAPK2 (0.43) KMT2AMEN1POLBMAPKAPK2ALDH1A1

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