SCHEMBL7780340

SCHEMBL7780340

COc1ccc(C(NCC(C)c2ccccc2)c2cccc(Nc3c(N)c(=O)c3=O)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.42
MEN1 O00255 4/20 0.42
POLB P06746 2/20 0.42
TDP1 Q9NUW8 1/20 0.39
MAPKAPK2 P49137 2/20 0.38
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
ADRB3 P13945 2/20 0.36
NPSR1 Q6W5P4 1/20 0.34
PKM P14618 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALPL P05186 1/20 0.33
GLA P06280 1/20 0.33
ALPI P09923 1/20 0.33
ALPG P10696 1/20 0.33

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
SCHEMBL7787621 0.92 KMT2A (0.43) KMT2AMEN1POLBTDP1MAPKAPK2
SCHEMBL7785275 0.89 ADRB3 (0.46) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL7784885 0.89 KMT2A (0.43) KMT2AMEN1POLBTDP1MAPKAPK2
SCHEMBL7785298 0.86 KMT2A (0.44) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL7787600 0.85 KMT2A (0.43) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL7787667 0.85 MAPKAPK2 (0.46) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7785210 0.84 SIGMAR1 (0.43) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL7780313 0.82 TDP1 (0.41) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL7789205 0.82 GPR88 (0.48) KMT2AMEN1POLBMAPKAPK2ALDH1A1
SCHEMBL7785061 0.81 KMT2A (0.44) KMT2AMEN1POLBTDP1MAPKAPK2

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