SCHEMBL7787472

SCHEMBL7787472

COc1ccc(C(N[C@H](C)C2CCCCC2)c2cccc(Nc3c(OC)c(=O)c3=O)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.40
ACKR3 P25106 2/20 0.39
MAPKAPK2 P49137 2/20 0.39
DAPK3 O43293 1/20 0.39
ROCK2 O75116 1/20 0.39
CHEK2 O96017 1/20 0.39
PIM1 P11309 1/20 0.39
PLK1 P53350 1/20 0.39
ROCK1 Q13464 1/20 0.39
CDC42BPA Q5VT25 1/20 0.39
AURKB Q96GD4 1/20 0.39
PLK3 Q9H4B4 1/20 0.39
GALR2 O43603 3/20 0.37
GALR1 P47211 3/20 0.37
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
ALDH1A1 P00352 4/20 0.34

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
SCHEMBL7785096 1.00 MEN1 (0.40) MEN1POLBKMT2AACKR3MAPKAPK2
SCHEMBL7784891 0.92 MEN1 (0.37) MEN1POLBKMT2AACKR3MAPKAPK2
SCHEMBL7785718 0.90 ACKR3 (0.41) MEN1POLBKMT2AACKR3MAPKAPK2
SCHEMBL7789190 0.90 ACKR3 (0.41) MEN1POLBKMT2AACKR3MAPKAPK2
Hydrochloric Acid SCHEMBL7803812 0.89 ACKR3 (0.40) MEN1POLBKMT2AACKR3MAPKAPK2
SCHEMBL7785243 0.81 MEN1 (0.41) MEN1POLBKMT2AMAPKAPK2GALR2
SCHEMBL7780556 0.79 ALDH1A1 (0.44) MEN1POLBKMT2AMAPKAPK2ALDH1A1
SCHEMBL7787681 0.79 MAPKAPK2 (0.44) MEN1POLBKMT2AMAPKAPK2ROCK2
SCHEMBL7780375 0.79 KMT2A (0.42) MEN1POLBKMT2AMAPKAPK2ALDH1A1
SCHEMBL7780348 0.78 KMT2A (0.41) MEN1POLBKMT2AMAPKAPK2ALDH1A1

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