SCHEMBL7785650

SCHEMBL7785650

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TP53 P04637 1/20 0.50
ALDH1A1 P00352 3/20 0.49
HTT P42858 2/20 0.49
MITF O75030 1/20 0.49
LMNA P02545 1/20 0.49
CNR1 P21554 2/20 0.47
CNR2 P34972 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
NFE2L2 Q16236 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CASR P41180 2/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
NPC1 O15118 1/20 0.43

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
SCHEMBL7787446 0.89 MAPT (0.52) KMT2AMEN1MAPTSMN1; SMN2TP53
SCHEMBL7780743 0.88 KMT2A (0.52) KMT2AMEN1MAPTSMN1; SMN2TP53
SCHEMBL7785132 0.86 SIGMAR1 (0.48) KMT2AMEN1MAPTSMN1; SMN2TP53
SCHEMBL7785114 0.84 SMN1; SMN2 (0.48) KMT2AMEN1MAPTSMN1; SMN2TP53
SCHEMBL7787584 0.83 MEN1 (0.49) KMT2AMEN1MAPTSMN1; SMN2TP53
SCHEMBL27540196 0.81 ACP3 (0.50) KMT2AMEN1MAPTSMN1; SMN2TP53
SCHEMBL7785642 0.81 ACP3 (0.50) KMT2AMEN1MAPTSMN1; SMN2TP53
SCHEMBL7780342 0.80 KMT2A (0.54) KMT2AMEN1MAPTSMN1; SMN2TP53
SCHEMBL7789039 0.80 KMT2A (0.46) KMT2AMEN1MAPTSMN1; SMN2TP53
SCHEMBL7785217 0.78 FAAH (0.51) KMT2AMEN1MAPTSMN1; SMN2TP53

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