SCHEMBL7780348

SCHEMBL7780348

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.41
MAPKAPK2 P49137 5/20 0.38
ALDH1A1 P00352 3/20 0.37
GAA P10253 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 2/20 0.35
MAPK14 Q16539 1/20 0.34
ACP3 P15309 2/20 0.33
TP53 P04637 1/20 0.33
GFER P55789 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CASR P41180 1/20 0.33
GPR139 Q6DWJ6 1/20 0.33

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
SCHEMBL7787517 1.00 KMT2A (0.41) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7784909 1.00 KMT2A (0.41) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7780311 0.93 MEN1 (0.39) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7780305 0.92 KMT2A (0.38) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7787653 0.92 KMT2A (0.38) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7785270 0.92 KMT2A (0.38) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7780556 0.91 ALDH1A1 (0.44) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7780501 0.91 POLB (0.40) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7780541 0.90 KMT2A (0.44) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7805452 0.90 KMT2A (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