SCHEMBL8229244

SCHEMBL8229244

C=C(Nc1cc(-c2cccs2)ccc1N)c1cccc(NC(=O)OCCN2CCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.56
HDAC2 Q92769 20/20 0.56
HDAC3 O15379 16/20 0.56

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
SCHEMBL8231667 0.92 HDAC1 (0.57) HDAC1HDAC2HDAC3
SCHEMBL4577958 0.92 HDAC1 (0.57) HDAC1HDAC2HDAC3
SCHEMBL4577585 0.85 HDAC1 (0.63) HDAC1HDAC2HDAC3
SCHEMBL4578185 0.79 HDAC1 (0.66) HDAC1HDAC2HDAC3
SCHEMBL4579959 0.78 HDAC1 (0.41) HDAC1HDAC2HDAC3
SCHEMBL4579710 0.78 HDAC1 (0.64) HDAC1HDAC2HDAC3
SCHEMBL1063413 0.73 HDAC1 (0.63) HDAC1HDAC2HDAC3
SCHEMBL7938248 0.73 HDAC1 (0.61) HDAC1HDAC2HDAC3
SCHEMBL4579949 0.72 HDAC1 (0.41) HDAC1HDAC2HDAC3
SCHEMBL13833718 0.72 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007118137-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-10-18 WO disclosed