SCHEMBL15512700

SCHEMBL15512700

CC(=O)CCCCC[C@H](NS(=O)(=O)c1ccccc1F)c1ncc(-c2ccccc2)[nH]1

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.76

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 SCHEMBL2073546 0.96 HDAC1 (0.71) HDAC1
SCHEMBL15512994 0.88 HDAC1 (0.78) HDAC1
SCHEMBL15512996 0.88 HDAC1 (0.78) HDAC1
SCHEMBL15513116 0.88 HDAC1 (0.84) HDAC1
SCHEMBL15513359 0.87 HDAC1 (0.80) HDAC1
SCHEMBL15513774 0.86 HDAC1 (0.82) HDAC1
SCHEMBL15513394 0.86 HDAC1 (1.00) HDAC1
Trifluoroacetic Acid SCHEMBL2074618 0.85 HDAC1 (0.74) HDAC1
SCHEMBL15513483 0.85 HDAC1 (0.77) HDAC1
Trifluoroacetic Acid SCHEMBL2070559 0.84 HDAC1 (0.76) HDAC1

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