SCHEMBL2470124

SCHEMBL2470124

COC(=O)[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)CCl

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 13/20 0.64
NMBR P28336 1/20 0.44
MDM4 O15151 1/20 0.43
MDM2 Q00987 1/20 0.43
HDAC6 Q9UBN7 4/20 0.42
HDAC1 Q13547 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL2470129 1.00 SIRT2 (0.64) SIRT2NMBRMDM4MDM2HDAC6
SCHEMBL10026711 0.90 SIRT2 (0.64) SIRT2NMBRMDM4MDM2HDAC6
SCHEMBL4246949 0.90 SIRT2 (0.67) SIRT2NMBRMDM4MDM2HDAC6
SCHEMBL2476152 0.88 SIRT2 (0.52) SIRT2NMBR
SCHEMBL2476149 0.88 SIRT2 (0.52) SIRT2NMBR
SCHEMBL18715386 0.86 SIRT2 (0.67) SIRT2NMBRMDM4MDM2HDAC6
SCHEMBL2473099 0.85 SIRT2 (0.64) SIRT2NMBRMDM4MDM2HDAC6
SCHEMBL2473101 0.85 SIRT2 (0.64) SIRT2NMBRMDM4MDM2HDAC6
SCHEMBL19512096 0.85 SIRT2 (0.59) SIRT2NMBRMDM4MDM2MEN1
SCHEMBL12626396 0.85 SIRT2 (0.66) SIRT2NMBRMDM4MDM2HDAC6

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-2371421-A1 Ligands of insulin degrading enzyme and their uses Université de Lille 2 Droit et Santé (FR) 2011-10-05 EP disclosed
WO-2011107948-A2 LIGANDS OF INSULIN DEGRADING ENZYME AND THEIR USES UNIVERSITE LILLE 2 DROIT ET SANTE (FR) 2011-09-09 WO disclosed