SCHEMBL5020769

SCHEMBL5020769

CC(=O)/C=C/c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 11/20 0.78
▸ HDAC4 P56524 6/20 0.78
▸ HDAC8 Q9BY41 5/20 0.78
▸ MAPT P10636 2/20 0.62
▸ HPGD P15428 1/20 0.62
▸ HDAC3 O15379 3/20 0.58
▸ HDAC7 Q8WUI4 3/20 0.58
▸ HDAC2 Q92769 3/20 0.58
▸ HDAC10 Q969S8 3/20 0.58
▸ HDAC11 Q96DB2 3/20 0.58
▸ HDAC6 Q9UBN7 3/20 0.58
▸ HDAC9 Q9UKV0 3/20 0.58
▸ HDAC5 Q9UQL6 3/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ POLB P06746 1/20 0.58

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
SCHEMBL4471821 0.89 HDAC1 (0.78) HDAC1HDAC4HDAC8MAPTHPGD
SCHEMBL5020756 0.87 HDAC1 (0.76) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL5049507 0.87 HDAC1 (1.00) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL5020627 0.87 HDAC1 (1.00) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL5020762 0.87 HDAC1 (0.76) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL5020744 0.85 PKM (0.58) HDAC1HDAC4HDAC8MAPTHDAC3
SCHEMBL5020761 0.85 HDAC1 (0.79) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL5020774 0.85 HDAC1 (0.77) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL5020765 0.85 HDAC1 (0.79) HDAC1HDAC4HDAC8MAPTHDAC3
SCHEMBL14629583 0.84 HDAC1 (0.76) HDAC1HDAC4HDAC8MAPTHDAC3

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
US-RE43343-E1 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-05-01 — — US disclosed
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