SCHEMBL7787600

SCHEMBL7787600

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.43
MEN1 O00255 6/20 0.43
POLB P06746 3/20 0.43
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 1/20 0.39
FPR2 P25090 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
HAT1 O14929 3/20 0.36
EP300 Q09472 3/20 0.36
ATM Q13315 1/20 0.36
BLM P54132 1/20 0.36

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
SCHEMBL7785210 0.94 SIGMAR1 (0.43) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL7787489 0.91 ALDH1A1 (0.39) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL7789113 0.89 KMT2A (0.44) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL7785298 0.89 KMT2A (0.44) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL7787621 0.87 KMT2A (0.43) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL7780340 0.85 KMT2A (0.42) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL7785275 0.85 ADRB3 (0.46) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL7784907 0.84 SIGMAR1 (0.44) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL7785268 0.83 NPC1 (0.45) KMT2AMEN1POLBTDP1NPC1
SCHEMBL7780313 0.83 TDP1 (0.41) KMT2AMEN1POLBTDP1ALDH1A1

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