SCHEMBL14629564

SCHEMBL14629564

COc1cc(NS(=O)(=O)c2ccc(/C=C/C(=O)NO)cc2)ccc1C

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 19/20 0.83
▸ HDAC4 P56524 13/20 0.83
▸ HDAC8 Q9BY41 11/20 0.67
▸ HDAC3 O15379 9/20 0.67
▸ HDAC6 Q9UBN7 9/20 0.67
▸ HDAC7 Q8WUI4 8/20 0.67
▸ HDAC2 Q92769 8/20 0.67
▸ HDAC10 Q969S8 8/20 0.67
▸ HDAC11 Q96DB2 8/20 0.67
▸ HDAC9 Q9UKV0 8/20 0.67
▸ HDAC5 Q9UQL6 8/20 0.67
▸ PKM P14618 1/20 0.57

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
SCHEMBL8242311 0.91 HDAC1 (1.00) HDAC1HDAC4HDAC8HDAC3HDAC6
SCHEMBL1403549 0.84 HDAC1 (1.00) HDAC1HDAC4HDAC8HDAC3HDAC6
SCHEMBL1403545 0.84 HDAC1 (1.00) HDAC1HDAC4HDAC8HDAC3HDAC6
SCHEMBL5020703 0.82 HDAC1 (0.74) HDAC1HDAC4HDAC8HDAC3HDAC6
SCHEMBL8248523 0.82 HDAC1 (1.00) HDAC1HDAC4HDAC8HDAC3HDAC6
SCHEMBL5049507 0.80 HDAC1 (1.00) HDAC1HDAC4HDAC8HDAC3HDAC6
SCHEMBL5020627 0.80 HDAC1 (1.00) HDAC1HDAC4HDAC8HDAC3HDAC6
SCHEMBL5622158 0.80 HDAC1 (0.80) HDAC1HDAC4HDAC8HDAC3HDAC6
SCHEMBL8249933 0.80 HDAC1 (0.80) HDAC1HDAC4HDAC8HDAC3HDAC6
SCHEMBL1403430 0.80 HDAC1 (1.00) HDAC1HDAC4HDAC8HDAC3HDAC6

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-1748046-A2 Inhibitors of histone deacetylase Methylgene, Inc. (CA) 2007-01-31 — — EP disclosed
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