SCHEMBL14629583

SCHEMBL14629583

C=C(/C=C/c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1)NO

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 15/20 0.76
▸ HDAC4 P56524 9/20 0.76
▸ HDAC8 Q9BY41 9/20 0.76
▸ HDAC3 O15379 6/20 0.57
▸ HDAC7 Q8WUI4 6/20 0.57
▸ HDAC2 Q92769 6/20 0.57
▸ HDAC10 Q969S8 6/20 0.57
▸ HDAC11 Q96DB2 6/20 0.57
▸ HDAC6 Q9UBN7 6/20 0.57
▸ HDAC9 Q9UKV0 6/20 0.57
▸ HDAC5 Q9UQL6 6/20 0.57
▸ MEN1 O00255 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ KMT2A Q03164 1/20 0.54

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
SCHEMBL5049507 0.86 HDAC1 (1.00) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL14629569 0.86 HDAC1 (0.76) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL5020627 0.86 HDAC1 (1.00) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL4471821 0.84 HDAC1 (0.78) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL5020769 0.84 HDAC1 (0.78) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL14188745 0.81 HDAC1 (0.80) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL11436261 0.79 CA12 (0.62) HDAC1HDAC4HDAC8MEN1MAPT
SCHEMBL2005010 0.78 CA12 (0.81) MEN1MAPTKMT2A
SCHEMBL25219825 0.78 HDAC4 (0.67) HDAC1HDAC4HDAC8MEN1MAPT
SCHEMBL3483831 0.78 LMNA (0.71) HDAC1HDAC4HDAC8MEN1MAPT

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
Send feedback