SCHEMBL7780405

SCHEMBL7780405

COc1ccc(C(N[C@@H](C)c2cccc(F)c2)c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 4/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
NFE2L2 Q16236 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TP53 P04637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ACP3 P15309 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
SCHEMBL7780373 1.00 LMNA (0.48) LMNAALDH1A1GAAMAPK1NPSR1
SCHEMBL7785152 0.94 MAPK1 (0.46) LMNAALDH1A1GAAMAPK1NPSR1
SCHEMBL7780564 0.94 MAPK1 (0.46) LMNAALDH1A1GAAMAPK1NPSR1
SCHEMBL7787619 0.92 PFKFB3 (0.42) LMNAALDH1A1GAAMAPK1NPSR1
SCHEMBL7785483 0.92 MAPK1 (0.47) LMNAALDH1A1GAAMAPK1NPSR1
SCHEMBL27530409 0.92 MAPK1 (0.47) LMNAALDH1A1GAAMAPK1NPSR1
SCHEMBL7788967 0.91 MAPK1 (0.51) LMNAALDH1A1MAPK1NPSR1MAPT
SCHEMBL7787867 0.90 MAPK1 (0.45) LMNAALDH1A1GAAMAPK1NPSR1
SCHEMBL7787701 0.90 MAPK1 (0.45) LMNAALDH1A1GAAMAPK1NPSR1
SCHEMBL7780352 0.90 MAPK1 (0.45) LMNAALDH1A1GAAMAPK1NPSR1

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 2 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
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed