SCHEMBL13285396

SCHEMBL13285396

Cn1cc(CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)nn1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 3/20 0.61
TP53 P04637 3/20 0.61
MDM2 Q00987 7/20 0.57
CASP3 P42574 2/20 0.47
TLR2 O60603 1/20 0.44

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
SCHEMBL3722114 0.87 MDM4 (0.63) MDM4TP53MDM2CASP3
SCHEMBL3722116 0.87 MDM4 (0.63) MDM4TP53MDM2CASP3
SCHEMBL13284069 0.87 MDM4 (0.62) MDM4TP53MDM2CASP3TLR2
SCHEMBL13284070 0.85 MDM4 (0.64) MDM4TP53MDM2CASP3
SCHEMBL3779667 0.85 MDM4 (0.64) MDM4TP53MDM2CASP3
SCHEMBL31370349 0.85 MDM4 (0.68) MDM4TP53MDM2CASP3
SCHEMBL3728174 0.84 MDM4 (0.56) MDM4TP53MDM2CASP3TLR2
SCHEMBL29615199 0.84 MDM4 (0.56) MDM4TP53MDM2CASP3TLR2
SCHEMBL3728179 0.84 MDM4 (0.56) MDM4TP53MDM2CASP3TLR2
SCHEMBL13284068 0.83 MDM2 (0.62) MDM4TP53MDM2CASP3

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-2210882-A1 Synthesis of new protected azahistidine, their processes and their use in synthesises Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2010-07-28 EP disclosed