SCHEMBL8103360

SCHEMBL8103360

C[n+]1c(CC(=O)c2ccccc2)cccc1CC(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPK1 P28482 2/20 0.48
MEN1 O00255 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
CES1 P23141 1/20 0.48
KCNH2 Q12809 2/20 0.46
GSK3B P49841 2/20 0.45
ALDH1A1 P00352 2/20 0.45
PTPN1 P18031 2/20 0.45
TRPA1 O75762 1/20 0.45
HIF1A Q16665 1/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.44

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 SCHEMBL5949218 0.98 MAPT (0.47) MAPTTDP1KMT2AKDM4EMAPK1
SCHEMBL6560513 0.92 NPC1 (0.59) MAPTTDP1KMT2AKDM4EMEN1
SCHEMBL6562193 0.90 RAB9A (0.48) MAPTKMT2AMAPK1MEN1SMN1; SMN2
SCHEMBL6560743 0.90 L3MBTL1 (0.58) MAPTKMT2AKDM4EMAPK1MEN1
SCHEMBL6561355 0.90 RAB9A (0.49) MAPTTDP1KMT2AKDM4EMEN1
Iodide SCHEMBL5949442 0.90 NPC1 (0.57) MAPTTDP1KMT2AKDM4EMEN1
Iodide SCHEMBL5948931 0.89 RAB9A (0.47) MAPTKMT2AKDM4EMAPK1MEN1
Iodide SCHEMBL5949328 0.89 RAB9A (0.48) MAPTTDP1KMT2AKDM4EMAPK1
Iodide SCHEMBL5949340 0.89 L3MBTL1 (0.57) MAPTKMT2AKDM4EMAPK1MEN1
SCHEMBL6561313 0.87 CES2 (0.54) KMT2AMEN1SMN1; SMN2CES1KCNH2

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