SCHEMBL7780703

SCHEMBL7780703

COc1ccc(C(NC(C)c2ccc(O)cc2)c2cccc(Nc3c(N)c(=O)c3=O)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 1/20 0.42
MAPKAPK2 P49137 6/20 0.40
ACP3 P15309 2/20 0.38
GSK3B P49841 1/20 0.38
EGFR P00533 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
PPARG P37231 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ACHE P22303 1/20 0.34
NLRP3 Q96P20 1/20 0.34
ALPL P05186 1/20 0.33
GLA P06280 1/20 0.33
ALPI P09923 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
SCHEMBL7787667 0.93 MAPKAPK2 (0.46) MEN1KMT2APOLBMAPKAPK2ACP3
SCHEMBL7787529 0.89 MAPKAPK2 (0.44) MEN1KMT2APOLBMAPKAPK2GSK3B
SCHEMBL7780389 0.87 KMT2A (0.41) MEN1KMT2APOLBMAPKAPK2ACP3
SCHEMBL7787655 0.87 ALDH1A1 (0.44) MEN1KMT2APOLBMAPKAPK2ACP3
SCHEMBL7780560 0.87 ALDH1A1 (0.44) MEN1KMT2APOLBMAPKAPK2ACP3
SCHEMBL7787770 0.87 KMT2A (0.40) MEN1KMT2APOLBMAPKAPK2ACP3
SCHEMBL7785675 0.87 KMT2A (0.40) MEN1KMT2APOLBMAPKAPK2ACP3
SCHEMBL7785696 0.87 KMT2A (0.40) MEN1KMT2APOLBMAPKAPK2ACP3
Hydrochloric Acid SCHEMBL7787875 0.86 MEN1 (0.45) MEN1KMT2APOLBMAPKAPK2ACP3
Hydrochloric Acid SCHEMBL7787718 0.86 KMT2A (0.40) MEN1KMT2APOLBMAPKAPK2ACP3

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