SCHEMBL2473101

SCHEMBL2473101

COC(=O)C(Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)CN(C)CC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 14/20 0.64
NMBR P28336 1/20 0.42
OPRK1 P41145 1/20 0.41
MDM4 O15151 1/20 0.40
MDM2 Q00987 1/20 0.40
HDAC6 Q9UBN7 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC1 Q13547 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
SCHEMBL2473099 1.00 SIRT2 (0.64) SIRT2NMBROPRK1MDM4MDM2
SCHEMBL2477239 0.88 SIRT2 (0.61) SIRT2NMBROPRK1MDM4MDM2
SCHEMBL2476422 0.88 SIRT2 (0.61) SIRT2NMBROPRK1MDM4MDM2
SCHEMBL2476426 0.88 SIRT2 (0.61) SIRT2NMBROPRK1MDM4MDM2
SCHEMBL10026711 0.85 SIRT2 (0.64) SIRT2NMBRMDM4MDM2HDAC6
SCHEMBL4246949 0.85 SIRT2 (0.67) SIRT2NMBRMDM4MDM2HDAC6
SCHEMBL2470129 0.85 SIRT2 (0.64) SIRT2NMBRMDM4MDM2HDAC6
SCHEMBL2470124 0.85 SIRT2 (0.64) SIRT2NMBRMDM4MDM2HDAC6
SCHEMBL2473478 0.85 SIRT2 (0.58) SIRT2NMBROPRK1MDM4MDM2
SCHEMBL2473482 0.85 SIRT2 (0.58) SIRT2NMBROPRK1MDM4MDM2

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