SCHEMBL16644607

SCHEMBL16644607

COC(=O)N1CCC(Nc2ncc(C(=O)NO)cn2)(C(C)C)CC1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.79
HDAC3 O15379 19/20 0.79
HDAC2 Q92769 19/20 0.79
HDAC6 Q9UBN7 19/20 0.79

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
SCHEMBL16632393 0.90 HDAC3 (0.77) HDAC1HDAC3HDAC2HDAC6
SCHEMBL16632298 0.88 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC6
SCHEMBL16632337 0.84 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC6
SCHEMBL22874120 0.83 HDAC3 (0.74) HDAC1HDAC3HDAC2HDAC6
SCHEMBL23518825 0.79 HDAC1 (0.55) HDAC1HDAC3HDAC2HDAC6
SCHEMBL16644402 0.78 HDAC1 (0.62) HDAC1HDAC3HDAC2HDAC6
SCHEMBL17832679 0.77 HDAC1 (0.56) HDAC1HDAC3HDAC2HDAC6
SCHEMBL16636576 0.77 HDAC1 (0.71) HDAC1HDAC3HDAC2HDAC6
SCHEMBL16644400 0.73 HDAC1 (0.54) HDAC1HDAC3HDAC2HDAC6
SCHEMBL16644397 0.73 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC6

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
WO-2015054474-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS ACETYLON PHARMACEUTICALS, INC. (US) 2015-04-16 WO disclosed