SCHEMBL4777026

SCHEMBL4777026

NCC(=O)NCc1cc(-c2ccc(C(F)(F)F)cc2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.45
BACE2 Q9Y5Z0 1/20 0.44
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
PSEN1 P49768 4/20 0.42
PSEN2 P49810 4/20 0.42
APH1B Q8WW43 4/20 0.42
NCSTN Q92542 4/20 0.42
APH1A Q96BI3 4/20 0.42
PSENEN Q9NZ42 4/20 0.42
CYP2D6 P10635 3/20 0.42
CYP3A4 P08684 1/20 0.42
AOC3 Q16853 2/20 0.42
KDM1A O60341 1/20 0.42
HDAC1 Q13547 1/20 0.42
CACNA1H O95180 1/20 0.41
SORT1 Q99523 1/20 0.41
KIF11 P52732 3/20 0.41
GLS O94925 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
SCHEMBL14258726 0.80 KIF11 (0.43) LMNAPKMKMT2APSEN1PSEN2
SCHEMBL4906644 0.78 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3719612 0.78 KIF11 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14258727 0.77 SCN9A (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14258737 0.77 SCN9A (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL4899189 0.77 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14258704 0.75 KIF11 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4909219 0.75 PSEN1 (0.43) LMNAPKMKMT2APSEN1PSEN2
SCHEMBL4904069 0.74 PSEN1 (0.42) LMNAPKMKMT2APSEN1PSEN2
Hydrochloric Acid SCHEMBL4908124 0.74 PSEN1 (0.42) LMNAPKMKMT2APSEN1PSEN2

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
WO-2008017691-A1 PYRIDINE DERIVATIVES AS SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2008-02-14 WO disclosed