SCHEMBL7785570

SCHEMBL7785570

COc1cc(OC)cc(C(C)NC(c2ccc(F)cc2)c2cccc(N)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
GAA P10253 2/20 0.40
HTT P42858 2/20 0.39
MITF O75030 1/20 0.39
MAPT P10636 1/20 0.39
CYP3A4 P08684 2/20 0.39
AOC3 Q16853 1/20 0.36
KRAS P01116 1/20 0.35
SOS1 Q07889 1/20 0.35
SLC6A9 P48067 1/20 0.35
SLC6A5 Q9Y345 1/20 0.35
NQO2 P16083 1/20 0.35
MAOB P27338 1/20 0.35
CASR P41180 2/20 0.34
BACE1 P56817 1/20 0.34
PIK3C2B O00750 1/20 0.34
PIK3C2G O75747 1/20 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
SCHEMBL7780321 0.91 KMT2A (0.48) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL7785574 0.88 ALDH1A1 (0.45) KMT2AALDH1A1LMNAGAAHTT
SCHEMBL7785129 0.88 ALDH1A1 (0.45) KMT2AALDH1A1LMNAGAAHTT
SCHEMBL7787615 0.86 MAPKAPK2 (0.33) CYP3A4KRASSOS1SLC6A9SLC6A5
SCHEMBL27530316 0.85 ALDH1A1 (0.50) KMT2AALDH1A1LMNAGAAHTT
SCHEMBL7780790 0.85 ALDH1A1 (0.50) KMT2AALDH1A1LMNAGAAHTT
SCHEMBL7785107 0.85 ALDH1A1 (0.50) KMT2AALDH1A1LMNAGAAHTT
SCHEMBL7785680 0.84 NPC1 (0.41) KMT2AALDH1A1LMNAGAAHTT
SCHEMBL7784989 0.84 ACP3 (0.45) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL7780717 0.84 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1LMNAGAA

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 3 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
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed