SCHEMBL6560743

SCHEMBL6560743

C[n+]1c(CC(=O)c2ccccc2)cccc1CC(=O)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.58
MAPT P10636 4/20 0.58
NPC1 O15118 8/20 0.49
RAB9A P51151 8/20 0.49
KMT2A Q03164 4/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
PABPC1 P11940 1/20 0.46
MEN1 O00255 3/20 0.46
HPGD P15428 1/20 0.46
HSD11B1 P28845 2/20 0.45
GSK3B P49841 3/20 0.44
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
TRPA1 O75762 1/20 0.42

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
Iodide SCHEMBL5949340 0.98 L3MBTL1 (0.57) L3MBTL1MAPTNPC1RAB9AKMT2A
SCHEMBL8103360 0.90 MAPT (0.48) L3MBTL1MAPTNPC1RAB9AKMT2A
Iodide SCHEMBL5949218 0.89 MAPT (0.47) L3MBTL1MAPTNPC1RAB9AKMT2A
SCHEMBL6559643 0.88 L3MBTL1 (0.47) L3MBTL1MAPTNPC1RAB9AKMT2A
Trifluoromethanesulfonic Acid SCHEMBL5949274 0.87 KCNH2 (0.46) L3MBTL1MAPTNPC1RAB9AKMT2A
Iodide SCHEMBL5949288 0.87 L3MBTL1 (0.46) L3MBTL1MAPTNPC1RAB9AKMT2A
SCHEMBL6560513 0.86 NPC1 (0.59) L3MBTL1MAPTNPC1RAB9AKMT2A
Iodide SCHEMBL5949442 0.84 NPC1 (0.57) L3MBTL1MAPTNPC1RAB9AKMT2A
SCHEMBL6561355 0.84 RAB9A (0.49) L3MBTL1MAPTNPC1RAB9AKMT2A
SCHEMBL6562193 0.84 RAB9A (0.48) L3MBTL1MAPTNPC1RAB9AKMT2A

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
EP-1050531-B1 Pyridine and piperidine derivatives for treating neurodegenerative diseases SERVIER LAB (FR) 2004-11-17 EP disclosed
EP-1050531-A1 Pyridine and piperidine derivatives for treating neurodegenerative diseases ADIR ET COMPAGNIE (FR) 2000-11-08 EP disclosed