SCHEMBL7780411

SCHEMBL7780411

COc1cccc(C(N[C@@H](C)c2cccc(F)c2)c2cccc(Nc3c(N)c(=O)c3=O)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 3/20 0.47
MAPKAPK2 P49137 3/20 0.42
PFKFB3 Q16875 1/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 2/20 0.38
GFER P55789 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.36
CASR P41180 2/20 0.35
IDO1 P14902 1/20 0.35
P2RY2 P41231 1/20 0.35
P2RY4 P51582 1/20 0.35
P2RY12 Q9H244 1/20 0.35

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
SCHEMBL7780560 0.93 ALDH1A1 (0.44) MEN1KMT2APOLBMAPKAPK2PFKFB3
SCHEMBL7787655 0.93 ALDH1A1 (0.44) MEN1KMT2APOLBMAPKAPK2PFKFB3
SCHEMBL7780332 0.89 MEN1 (0.48) MEN1KMT2APOLBMAPKAPK2PFKFB3
SCHEMBL7780389 0.87 KMT2A (0.41) MEN1KMT2APOLBMAPKAPK2LMNA
SCHEMBL7787608 0.87 MAPKAPK2 (0.40) MEN1KMT2APOLBMAPKAPK2LMNA
SCHEMBL7785675 0.85 KMT2A (0.40) MEN1KMT2APOLBMAPKAPK2LMNA
SCHEMBL7787770 0.85 KMT2A (0.40) MEN1KMT2APOLBMAPKAPK2LMNA
SCHEMBL7785696 0.85 KMT2A (0.40) MEN1KMT2APOLBMAPKAPK2LMNA
Hydrochloric Acid SCHEMBL7787718 0.84 KMT2A (0.40) MEN1KMT2APOLBMAPKAPK2LMNA
SCHEMBL7787667 0.83 MAPKAPK2 (0.46) MEN1KMT2APOLBMAPKAPK2LMNA

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