SCHEMBL7787694

SCHEMBL7787694

COc1ccc(C(N[C@H](C)c2ccc(F)cc2)c2cccc(Nc3c(OC(C)(C)C)c(=O)c3=O)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
POLB P06746 2/20 0.41
MAPKAPK2 P49137 6/20 0.40
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
GAA P10253 2/20 0.38
HTT P42858 2/20 0.37
MITF O75030 1/20 0.37
MAPT P10636 1/20 0.37
MAPK14 Q16539 1/20 0.35
CNR1 P21554 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CRHBP P24387 1/20 0.34
CYP2C19 P33261 1/20 0.34
CRHR2 Q13324 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL7787598 0.95 MAPKAPK2 (0.43) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7784926 0.94 KMT2A (0.38) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7784925 0.94 ALDH1A1 (0.41) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7787853 0.94 KMT2A (0.38) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7787539 0.94 KMT2A (0.41) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7785121 0.94 MAPKAPK2 (0.46) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7785039 0.93 MAPKAPK2 (0.43) KMT2AMEN1POLBMAPKAPK2MAPK14
SCHEMBL7787745 0.92 MAPKAPK2 (0.41) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7785270 0.91 KMT2A (0.38) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7787653 0.91 KMT2A (0.38) 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