SCHEMBL7785476

SCHEMBL7785476

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TP53 P04637 1/20 0.45
ALPL P05186 1/20 0.45
GLA P06280 1/20 0.45
ALPI P09923 1/20 0.45
ALPG P10696 1/20 0.45
NFE2L2 Q16236 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.43
ACP3 P15309 1/20 0.43
HTT P42858 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7785642 0.81 ACP3 (0.50) MAPTSMN1; SMN2MEN1KMT2ATP53
SCHEMBL27540196 0.81 ACP3 (0.50) MAPTSMN1; SMN2MEN1KMT2ATP53
SCHEMBL7784983 0.80 ALPL (0.46) MEN1KMT2ATP53ALPLGLA
SCHEMBL7787446 0.80 MAPT (0.52) MAPTSMN1; SMN2MEN1KMT2ATP53
SCHEMBL7788967 0.78 MAPK1 (0.51) MAPTSMN1; SMN2MEN1KMT2ATP53
SCHEMBL7785114 0.78 SMN1; SMN2 (0.48) MAPTSMN1; SMN2MEN1KMT2ATP53
SCHEMBL7785650 0.78 KMT2A (0.50) MAPTSMN1; SMN2MEN1KMT2ATP53
SCHEMBL7785221 0.78 ALDH1A1 (0.64) MAPTSMN1; SMN2MEN1KMT2ATP53
SCHEMBL7780585 0.77 KMT2A (0.54) MAPTSMN1; SMN2MEN1KMT2ATP53
SCHEMBL7787584 0.77 MEN1 (0.49) MAPTSMN1; SMN2MEN1KMT2ATP53

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