SCHEMBL7780357

SCHEMBL7780357

COc1ccc(C(NCC(C)c2ccccc2)c2cccc(N)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 6/20 0.44
MEN1 O00255 3/20 0.44
PKM P14618 1/20 0.41
AOC3 Q16853 2/20 0.41
ALDH1A1 P00352 4/20 0.40
CASR P41180 2/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
BCHE P06276 1/20 0.40
MITF O75030 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
ADRB3 P13945 1/20 0.40
CYP3A4 P08684 1/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39

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
SCHEMBL7787942 0.90 TDP1 (0.49) TDP1KMT2AMEN1PKMAOC3
SCHEMBL7785233 0.88 AOC3 (0.52) TDP1KMT2AMEN1AOC3ALDH1A1
SCHEMBL7780342 0.82 KMT2A (0.54) TDP1KMT2AMEN1PKMALDH1A1
SCHEMBL7785046 0.81 TDP1 (0.49) TDP1KMT2AMEN1ALDH1A1CASR
SCHEMBL7780316 0.81 ACP3 (0.49) TDP1KMT2AMEN1PKMALDH1A1
SCHEMBL7780340 0.80 KMT2A (0.42) TDP1KMT2AMEN1PKMALDH1A1
SCHEMBL7789152 0.80 SIGMAR1 (0.53) TDP1KMT2AMEN1ALDH1A1CASR
SCHEMBL7784989 0.78 ACP3 (0.45) TDP1KMT2AMEN1PKMAOC3
SCHEMBL7780362 0.77 TDP1 (0.50) TDP1KMT2AMEN1ALDH1A1CASR
SCHEMBL7787461 0.76 TDP1 (0.55) TDP1KMT2AMEN1ALDH1A1CASR

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