SCHEMBL7780560

SCHEMBL7780560

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPKAPK2 P49137 5/20 0.39
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EGFR P00533 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PFKFB3 Q16875 1/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACP3 P15309 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
SCHEMBL7787655 1.00 ALDH1A1 (0.44) ALDH1A1GAALMNAKMT2AMEN1
SCHEMBL7780389 0.94 KMT2A (0.41) ALDH1A1GAALMNAKMT2AMEN1
SCHEMBL7780411 0.93 MEN1 (0.47) ALDH1A1GAALMNAKMT2AMEN1
SCHEMBL7785675 0.91 KMT2A (0.40) ALDH1A1GAALMNAKMT2AMEN1
SCHEMBL7785696 0.91 KMT2A (0.40) ALDH1A1GAALMNAKMT2AMEN1
SCHEMBL7787770 0.91 KMT2A (0.40) ALDH1A1GAALMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL7787718 0.91 KMT2A (0.40) ALDH1A1GAALMNAKMT2AMEN1
SCHEMBL7787667 0.90 MAPKAPK2 (0.46) ALDH1A1GAALMNAKMT2AMEN1
SCHEMBL7780556 0.89 ALDH1A1 (0.44) ALDH1A1GAALMNAKMT2AMEN1
SCHEMBL7789345 0.89 ALDH1A1 (0.46) ALDH1A1GAALMNAKMT2AMEN1

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