SCHEMBL7780585

SCHEMBL7780585

COc1ccc(C(NC(=O)C(C)c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
MEN1 O00255 4/20 0.54
GPR88 Q9GZN0 1/20 0.54
GAA P10253 2/20 0.53
LMNA P02545 3/20 0.52
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TP53 P04637 2/20 0.49
ALDH1A1 P00352 5/20 0.49
HTT P42858 3/20 0.48
HPGD P15428 1/20 0.48
POLB P06746 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL7785221 0.86 ALDH1A1 (0.64) KMT2AMEN1GAALMNAMAPT
SCHEMBL7785642 0.82 ACP3 (0.50) KMT2AMEN1GAALMNAMAPT
SCHEMBL27540196 0.82 ACP3 (0.50) KMT2AMEN1GAALMNAMAPT
SCHEMBL12350147 0.81 MEN1 (0.54) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL10155639 0.81 MAPT (0.47) KMT2AMEN1GAALMNAMAPT
Hydrochloric Acid SCHEMBL7785230 0.81 GPR88 (0.57) KMT2AMEN1GPR88GAALMNA
SCHEMBL7785664 0.80 ALDH1A1 (0.56) KMT2AMEN1GAALMNAMAPT
SCHEMBL7788967 0.79 MAPK1 (0.51) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL7785114 0.79 SMN1; SMN2 (0.48) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL7780334 0.79 ALDH1A1 (0.70) KMT2AMEN1GAALMNAMAPT

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