SCHEMBL6812845

SCHEMBL6812845

Cc1ccc(CN(CC(=O)O)C(=O)C(Cc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 11/20 0.51
HRAS P01112 5/20 0.47
NMBR P28336 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
SCHEMBL6812843 1.00 SIRT2 (0.51) SIRT2HRASNMBR
SCHEMBL6813557 0.94 SIRT2 (0.52) SIRT2HRASNMBR
SCHEMBL6812617 0.92 HRAS (0.53) SIRT2HRAS
SCHEMBL6812628 0.92 HRAS (0.53) SIRT2HRAS
SCHEMBL6809116 0.88 HRAS (0.48) SIRT2HRAS
SCHEMBL6809100 0.88 HRAS (0.48) SIRT2HRAS
SCHEMBL6809104 0.87 HRAS (0.53) SIRT2HRAS
SCHEMBL6809101 0.87 HRAS (0.53) SIRT2HRAS
SCHEMBL6817407 0.86 HRAS (0.60) SIRT2HRAS
SCHEMBL6817402 0.86 HRAS (0.60) SIRT2HRAS

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-0951471-B1 CYCLOALKYL INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER LAMBERT CO (US) 2004-03-17 EP disclosed