SCHEMBL7785298

SCHEMBL7785298

COc1ccc(C(NCCC(c2ccccc2)c2ccccc2)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 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
HTT P42858 3/20 0.44
MITF O75030 1/20 0.44
MEN1 O00255 7/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
CASR P41180 3/20 0.42
POLB P06746 1/20 0.42
ALPL P05186 2/20 0.40
ALOX12 P18054 2/20 0.40
MTNR1A P48039 4/20 0.40
MTNR1B P49286 4/20 0.40
TDP1 Q9NUW8 1/20 0.39
PKM P14618 1/20 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
SCHEMBL7787621 0.90 KMT2A (0.43) KMT2AALDH1A1LMNAHTTMEN1
SCHEMBL7787600 0.89 KMT2A (0.43) KMT2AALDH1A1HTTMEN1POLB
SCHEMBL7780087 0.89 KMT2A (0.45) KMT2AALDH1A1LMNAMAPTHTT
SCHEMBL7785210 0.88 SIGMAR1 (0.43) KMT2AALDH1A1LMNAMEN1POLB
SCHEMBL7780340 0.86 KMT2A (0.42) KMT2AALDH1A1LMNAMEN1POLB
SCHEMBL7785275 0.85 ADRB3 (0.46) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL7785626 0.84 MEN1 (0.41) KMT2ALMNAHTTMEN1POLB
SCHEMBL7787667 0.83 MAPKAPK2 (0.46) KMT2AALDH1A1LMNAMEN1POLB
SCHEMBL7787489 0.82 ALDH1A1 (0.39) KMT2AALDH1A1LMNAMEN1POLB
SCHEMBL7785268 0.81 NPC1 (0.45) KMT2ALMNAMAPTMEN1POLB

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