SCHEMBL7787867

SCHEMBL7787867

COc1ccc(C(N[C@H](C)c2ccc(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
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 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
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
SCHEMBL7780352 1.00 MAPK1 (0.45) MAPK1NPSR1MAPTALDH1A1NPC1
SCHEMBL7787701 1.00 MAPK1 (0.45) MAPK1NPSR1MAPTALDH1A1NPC1
SCHEMBL7784938 0.92 MAPK1 (0.45) MAPK1NPSR1MAPTALDH1A1NPC1
SCHEMBL7780356 0.92 MAPK1 (0.45) MAPK1NPSR1MAPTALDH1A1NPC1
SCHEMBL7780405 0.90 LMNA (0.48) MAPK1NPSR1MAPTALDH1A1NPC1
SCHEMBL7780373 0.90 LMNA (0.48) MAPK1NPSR1MAPTALDH1A1NPC1
SCHEMBL7785104 0.90 GAA (0.46) MAPK1NPSR1MAPTALDH1A1NPC1
SCHEMBL7785144 0.90 AKR1C3 (0.48) ALDH1A1LMNAAKR1C3AKR1C2SMN1; SMN2
SCHEMBL7788967 0.90 MAPK1 (0.51) MAPK1NPSR1MAPTALDH1A1NPC1
SCHEMBL7785483 0.89 MAPK1 (0.47) MAPK1NPSR1MAPTALDH1A1NPC1

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 1 patent. 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