SCHEMBL7789113

SCHEMBL7789113

COc1ccc(C(NCCc2ccccc2)c2cccc(Nc3c(OC)c(=O)c3=O)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.44
MEN1 O00255 7/20 0.44
POLB P06746 3/20 0.44
TDP1 Q9NUW8 2/20 0.41
FPR2 P25090 1/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ATM Q13315 1/20 0.37
HAT1 O14929 2/20 0.37
EP300 Q09472 2/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL7784907 0.94 SIGMAR1 (0.44) KMT2AMEN1POLBTDP1SMN1; SMN2
SCHEMBL7780337 0.91 ALDH1A1 (0.40) KMT2AMEN1POLBTDP1GAA
SCHEMBL7787600 0.89 KMT2A (0.43) KMT2AMEN1POLBTDP1FPR2
SCHEMBL7780087 0.89 KMT2A (0.45) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL7785061 0.87 KMT2A (0.44) KMT2AMEN1POLBTDP1GAA
SCHEMBL7784885 0.85 KMT2A (0.43) KMT2AMEN1POLBTDP1GAA
SCHEMBL7785160 0.84 ADRB3 (0.46) KMT2AMEN1POLBTDP1GAA
SCHEMBL7785210 0.84 SIGMAR1 (0.43) KMT2AMEN1POLBTDP1SMN1; SMN2
SCHEMBL7780397 0.83 NPC1 (0.46) KMT2AMEN1POLBTDP1GAA
SCHEMBL7803820 0.83 RAB9A (0.45) KMT2AMEN1POLBGAASMN1; SMN2

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