SCHEMBL7780356

SCHEMBL7780356

COc1ccc(C(N[C@H](C)c2cc(F)c(F)c(F)c2)c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 4/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 3/20 0.43
NFE2L2 Q16236 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
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
GAA P10253 1/20 0.40
TP53 P04637 2/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL7784938 1.00 MAPK1 (0.45) MAPK1NPSR1MAPTALDH1A1NPC1
SCHEMBL7787701 0.92 MAPK1 (0.45) MAPK1NPSR1MAPTALDH1A1NPC1
SCHEMBL7780352 0.92 MAPK1 (0.45) MAPK1NPSR1MAPTALDH1A1NPC1
SCHEMBL7787867 0.92 MAPK1 (0.45) MAPK1NPSR1MAPTALDH1A1NPC1
SCHEMBL7780564 0.90 MAPK1 (0.46) MAPK1NPSR1MAPTALDH1A1NPC1
SCHEMBL7785152 0.90 MAPK1 (0.46) MAPK1NPSR1MAPTALDH1A1NPC1
SCHEMBL7788967 0.90 MAPK1 (0.51) MAPK1NPSR1MAPTALDH1A1NPC1
SCHEMBL27530409 0.89 MAPK1 (0.47) MAPK1NPSR1MAPTALDH1A1NPC1
SCHEMBL7785483 0.89 MAPK1 (0.47) MAPK1NPSR1MAPTALDH1A1NPC1
SCHEMBL7785122 0.89 AKR1C3 (0.42) MAPK1MAPTALDH1A1NPC1RAB9A

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