SCHEMBL6559643

SCHEMBL6559643

C[n+]1c(CC(=O)c2ccc(Cl)cc2)cccc1CC(=O)c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
GSK3B P49841 4/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
PABPC1 P11940 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40

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 SCHEMBL5949288 0.99 L3MBTL1 (0.46) L3MBTL1MAPTKMT2ANPC1RAB9A
SCHEMBL6562246 0.92 GSK3B (0.48) L3MBTL1MAPTKMT2ANPC1RAB9A
Iodide SCHEMBL5949629 0.91 GSK3B (0.47) L3MBTL1MAPTKMT2ANPC1RAB9A
SCHEMBL6560743 0.88 L3MBTL1 (0.58) L3MBTL1MAPTKMT2ANPC1RAB9A
SCHEMBL6561355 0.88 RAB9A (0.49) L3MBTL1MAPTKMT2ANPC1RAB9A
Trifluoromethanesulfonic Acid SCHEMBL5949333 0.88 KCNH2 (0.44) L3MBTL1MAPTKMT2ANPC1RAB9A
Iodide SCHEMBL5949328 0.87 RAB9A (0.48) L3MBTL1MAPTKMT2ANPC1RAB9A
Iodide SCHEMBL5949340 0.87 L3MBTL1 (0.57) L3MBTL1MAPTKMT2ANPC1RAB9A
Trifluoromethanesulfonic Acid SCHEMBL5948927 0.80 KCNH2 (0.49) MAPTKMT2AGSK3BKCNH2MEN1
SCHEMBL8103360 0.77 MAPT (0.48) L3MBTL1MAPTKMT2ANPC1RAB9A

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