SCHEMBL7787895

SCHEMBL7787895

COc1ccc(C(N[C@H](C)c2ccc3ccccc3c2)c2cccc(Nc3c(O)c(=O)c3=O)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
POLB P06746 1/20 0.41
MAPKAPK2 P49137 2/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
ACP3 P15309 2/20 0.38
EGFR P00533 1/20 0.38
LMNA P02545 1/20 0.37
TEAD4 Q15561 1/20 0.37
ALOX5 P09917 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
HCRTR1 O43613 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL7780673 0.92 MAPKAPK2 (0.46) MEN1KMT2APOLBMAPKAPK2THRA
SCHEMBL7789136 0.92 MAPKAPK2 (0.46) MEN1KMT2APOLBMAPKAPK2THRA
Hydrochloric Acid SCHEMBL7787875 0.91 MEN1 (0.45) MEN1KMT2APOLBMAPKAPK2THRA
Hydrochloric Acid SCHEMBL7780320 0.90 POLB (0.48) MEN1KMT2APOLBMAPKAPK2THRA
SCHEMBL7785296 0.89 ALDH1A1 (0.46) MEN1KMT2APOLBMAPKAPK2THRA
SCHEMBL7789345 0.89 ALDH1A1 (0.46) MEN1KMT2APOLBMAPKAPK2THRA
SCHEMBL7789329 0.88 MEN1 (0.40) MEN1KMT2APOLBMAPKAPK2THRA
SCHEMBL7789161 0.88 MEN1 (0.40) MEN1KMT2APOLBMAPKAPK2THRA
Hydrochloric Acid SCHEMBL7785704 0.88 ALDH1A1 (0.45) MEN1KMT2APOLBMAPKAPK2THRA
Hydrochloric Acid SCHEMBL7795378 0.88 MEN1 (0.40) MEN1KMT2APOLBMAPKAPK2THRA

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