SCHEMBL14345697

SCHEMBL14345697

NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)c1nc(-c2ccc(-c3ccccc3)cc2)no1

nearest known ligand 0.89

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 20/20 0.89
HDAC1 Q13547 18/20 0.69
HDAC3 O15379 16/20 0.69
HDAC4 P56524 16/20 0.69
HDAC7 Q8WUI4 16/20 0.69
HDAC2 Q92769 16/20 0.69
HDAC10 Q969S8 16/20 0.69
HDAC11 Q96DB2 16/20 0.69
HDAC8 Q9BY41 16/20 0.69
HDAC9 Q9UKV0 16/20 0.69
HDAC5 Q9UQL6 16/20 0.69

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
SCHEMBL8401966 0.94 HDAC6 (0.79) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL14345610 0.94 HDAC6 (0.79) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL14345750 0.94 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL8403304 0.93 HDAC6 (0.82) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL8110103 0.92 HDAC6 (0.81) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL14345701 0.87 HDAC6 (0.74) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL5360111 0.87 HDAC6 (0.68) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL14345572 0.87 HDAC6 (0.78) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL8118088 0.87 HDAC6 (0.73) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL8125613 0.86 HDAC6 (0.67) HDAC6HDAC1HDAC3HDAC4HDAC7

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
WO-2007143822-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-21 WO disclosed