SCHEMBL7780332

SCHEMBL7780332

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
POLB P06746 3/20 0.48
MAPKAPK2 P49137 3/20 0.43
TSHR P16473 2/20 0.41
PFKFB3 Q16875 1/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GFER P55789 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.36
CASR P41180 2/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
MTNR1B P49286 1/20 0.35
BRAF P15056 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
SCHEMBL7780556 0.93 ALDH1A1 (0.44) MEN1KMT2APOLBMAPKAPK2TSHR
SCHEMBL7780411 0.89 MEN1 (0.47) MEN1KMT2APOLBMAPKAPK2TSHR
SCHEMBL7780375 0.87 KMT2A (0.42) MEN1KMT2APOLBMAPKAPK2TSHR
SCHEMBL7784998 0.86 MAPKAPK2 (0.41) MEN1KMT2APOLBMAPKAPK2TSHR
SCHEMBL7780336 0.86 MAPKAPK2 (0.41) MEN1KMT2APOLBMAPKAPK2TSHR
SCHEMBL7784925 0.85 ALDH1A1 (0.41) MEN1KMT2APOLBMAPKAPK2LMNA
SCHEMBL7780348 0.84 KMT2A (0.41) MEN1KMT2APOLBMAPKAPK2TSHR
SCHEMBL7787517 0.84 KMT2A (0.41) MEN1KMT2APOLBMAPKAPK2TSHR
SCHEMBL7784909 0.84 KMT2A (0.41) MEN1KMT2APOLBMAPKAPK2TSHR
SCHEMBL7780311 0.83 MEN1 (0.39) MEN1KMT2APOLBMAPKAPK2TSHR

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