SCHEMBL7780541

SCHEMBL7780541

CNc1c(Nc2cccc(C(NC(C)c3ccc(F)c(F)c3)c3ccc(OC)cc3)c2)c(=O)c1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.44
MAPKAPK2 P49137 10/20 0.40
ALDH1A1 P00352 3/20 0.37
GAA P10253 2/20 0.37
LMNA P02545 1/20 0.37
MAPK14 Q16539 1/20 0.36
ACP3 P15309 2/20 0.33
S1PR3 Q99500 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 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

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
SCHEMBL7805452 0.91 KMT2A (0.43) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7802005 0.91 KMT2A (0.43) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7784909 0.90 KMT2A (0.41) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7780348 0.90 KMT2A (0.41) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7787517 0.90 KMT2A (0.41) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7780576 0.90 KMT2A (0.40) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7787770 0.90 KMT2A (0.40) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7785675 0.90 KMT2A (0.40) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7795354 0.90 KMT2A (0.40) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7802013 0.90 KMT2A (0.40) 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