SCHEMBL7787942

SCHEMBL7787942

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 7/20 0.45
MEN1 O00255 3/20 0.45
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
MITF O75030 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRB3 P13945 1/20 0.41
AOC3 Q16853 2/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
PKM P14618 1/20 0.40
BACE1 P56817 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL7785233 0.90 AOC3 (0.52) TDP1KMT2AMEN1ALDH1A1LMNA
SCHEMBL7780357 0.90 TDP1 (0.47) TDP1KMT2AMEN1ALDH1A1LMNA
SCHEMBL7780342 0.87 KMT2A (0.54) TDP1KMT2AMEN1ALDH1A1LMNA
SCHEMBL7785046 0.84 TDP1 (0.49) TDP1KMT2AMEN1ALDH1A1GAA
SCHEMBL7789152 0.82 SIGMAR1 (0.53) TDP1KMT2AMEN1ALDH1A1LMNA
SCHEMBL7780316 0.80 ACP3 (0.49) TDP1KMT2AMEN1ALDH1A1LMNA
SCHEMBL7787446 0.79 MAPT (0.52) TDP1KMT2AMEN1ALDH1A1LMNA
SCHEMBL7787621 0.79 KMT2A (0.43) TDP1KMT2AMEN1ALDH1A1LMNA
SCHEMBL7784983 0.77 ALPL (0.46) TDP1KMT2AMEN1ALDH1A1LMNA
SCHEMBL7784989 0.77 ACP3 (0.45) TDP1KMT2AMEN1ALDH1A1LMNA

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