SCHEMBL2476430

SCHEMBL2476430

CNC(=O)C(Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)CNCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 15/20 0.54
NMBR P28336 1/20 0.42
OPRK1 P41145 3/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 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
SCHEMBL2476429 1.00 SIRT2 (0.54) SIRT2NMBROPRK1PSEN1PSEN2
SCHEMBL2476149 0.86 SIRT2 (0.52) SIRT2NMBR
SCHEMBL2476152 0.86 SIRT2 (0.52) SIRT2NMBR
SCHEMBL2478687 0.83 SIRT2 (0.51) SIRT2NMBR
SCHEMBL2472298 0.80 SIRT2 (0.49) SIRT2NMBR
SCHEMBL2472296 0.80 SIRT2 (0.49) SIRT2NMBR
SCHEMBL2472940 0.80 SIRT2 (0.49) SIRT2NMBR
SCHEMBL21176255 0.78 SIRT2 (0.67) SIRT2NMBR
SCHEMBL21176257 0.78 SIRT2 (0.67) SIRT2NMBR
SCHEMBL2472392 0.78 SIRT2 (0.51) SIRT2NMBR

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-2371421-A1 Ligands of insulin degrading enzyme and their uses Université de Lille 2 Droit et Santé (FR) 2011-10-05 EP disclosed