SCHEMBL8229216

SCHEMBL8229216

C=C(Nc1cc(-c2cccs2)ccc1N)c1ccc(CN(C)CCN(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.53
HDAC2 Q92769 10/20 0.53
HDAC3 O15379 5/20 0.53

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
SCHEMBL4579226 0.89 HDAC1 (0.68) HDAC1HDAC2HDAC3
SCHEMBL2206079 0.79 HDAC1 (0.68) HDAC1HDAC2HDAC3
SCHEMBL4580057 0.78 HDAC1 (0.74) HDAC1HDAC2HDAC3
SCHEMBL8219788 0.77 HDAC1 (0.68) HDAC1HDAC2HDAC3
SCHEMBL2209455 0.77 HDAC1 (0.75) HDAC1HDAC2
SCHEMBL7934855 0.76 HDAC1 (0.80) HDAC1HDAC2HDAC3
SCHEMBL3643999 0.75 HDAC1 (0.72) HDAC1HDAC2HDAC3
SCHEMBL1930442 0.75 HDAC1 (0.60) HDAC1HDAC2
SCHEMBL4578576 0.74 HDAC1 (0.73) HDAC1HDAC2
SCHEMBL8291413 0.74 HDAC1 (0.59) 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