SCHEMBL15512892

SCHEMBL15512892

CC(=O)CCCCC[C@H](NS(=O)(=O)c1c(C)noc1C)c1ncc(-c2ccccc2)[nH]1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.65
HDAC3 O15379 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC4 P56524 1/20 0.49
HDAC8 Q9BY41 1/20 0.46

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
Trifluoroacetic Acid SCHEMBL2072470 0.95 HDAC1 (0.60) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL15513116 0.84 HDAC1 (0.84) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL15513138 0.84 HDAC1 (0.64) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL15512523 0.83 HDAC1 (0.65) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL15512685 0.83 HDAC1 (0.67) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL15513186 0.80 HDAC1 (0.80) HDAC1
SCHEMBL15513180 0.80 HDAC1 (0.80) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL15513359 0.80 HDAC1 (0.80) HDAC1
SCHEMBL15512700 0.80 HDAC1 (0.76) HDAC1
SCHEMBL4416660 0.80 HDAC1 (0.72) HDAC1HDAC3HDAC2HDAC6HDAC4

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-1828171-B1 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2014-03-12 EP claimed