SCHEMBL7785114

SCHEMBL7785114

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 3/20 0.48
TP53 P04637 2/20 0.48
HTT P42858 3/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
LMNA P02545 1/20 0.45
NFE2L2 Q16236 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP2C9 P11712 1/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 2/20 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 0.91 MAPT (0.52) SMN1; SMN2MEN1KMT2AMAPTTP53
SCHEMBL7787584 0.88 MEN1 (0.49) SMN1; SMN2MEN1KMT2AMAPTTP53
SCHEMBL7785650 0.84 KMT2A (0.50) SMN1; SMN2MEN1KMT2AMAPTTP53
SCHEMBL7780743 0.83 KMT2A (0.52) SMN1; SMN2MEN1KMT2AMAPTTP53
SCHEMBL27540196 0.83 ACP3 (0.50) SMN1; SMN2MEN1KMT2AMAPTTP53
SCHEMBL7785642 0.83 ACP3 (0.50) SMN1; SMN2MEN1KMT2AMAPTTP53
SCHEMBL7785132 0.82 SIGMAR1 (0.48) SMN1; SMN2MEN1KMT2AMAPTTP53
SCHEMBL7787629 0.81 MAPT (0.42) SMN1; SMN2MEN1KMT2AMAPTTP53
SCHEMBL7788967 0.80 MAPK1 (0.51) SMN1; SMN2MEN1KMT2AMAPTTP53
SCHEMBL7780357 0.80 TDP1 (0.47) MEN1KMT2AMAPTHTTTDP1

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