SCHEMBL13737151

SCHEMBL13737151

Nc1ccc(-c2cccs2)cc1NC(=O)OCC1CN(C(=O)O)C1

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.84
HDAC2 Q92769 20/20 0.84
HDAC3 O15379 17/20 0.84

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
SCHEMBL13833480 0.91 HDAC1 (1.00) HDAC1HDAC2HDAC3
SCHEMBL13833484 0.89 HDAC1 (1.00) HDAC1HDAC2HDAC3
SCHEMBL13833407 0.88 HDAC1 (0.80) HDAC1HDAC2HDAC3
SCHEMBL13833343 0.88 HDAC1 (1.00) HDAC1HDAC2HDAC3
SCHEMBL13833340 0.86 HDAC1 (1.00) HDAC1HDAC2HDAC3
SCHEMBL13833336 0.86 HDAC1 (1.00) HDAC1HDAC2HDAC3
SCHEMBL15522856 0.85 HDAC1 (0.62) HDAC1HDAC2HDAC3
SCHEMBL15522858 0.85 HDAC1 (0.62) HDAC1HDAC2HDAC3
SCHEMBL13833408 0.85 HDAC2 (1.00) HDAC1HDAC2HDAC3
SCHEMBL13833349 0.85 HDAC1 (1.00) HDAC1HDAC2HDAC3

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-2701699-A1 INHIBITORS OF HISTONE DEACETYLASE The Broad Institute, Inc. (US) 2014-03-05 EP disclosed
WO-2012149540-A1 INHIBITORS OF HISTONE DEACETYLASE THE BROAD INSTITUTE INC (US) 2012-11-01 WO disclosed