SCHEMBL5316731

SCHEMBL5316731

CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(OCCCC3CCCNC3)cc2)nc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 20/20 0.68
HDAC4 P56524 20/20 0.68
HDAC1 Q13547 20/20 0.68
HDAC7 Q8WUI4 20/20 0.68
HDAC2 Q92769 20/20 0.68
HDAC10 Q969S8 20/20 0.68
HDAC11 Q96DB2 20/20 0.68
HDAC8 Q9BY41 20/20 0.68
HDAC6 Q9UBN7 20/20 0.68
HDAC9 Q9UKV0 20/20 0.68
HDAC5 Q9UQL6 20/20 0.68
CYP2C9 P11712 1/20 0.52

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
SCHEMBL5317149 0.95 HDAC3 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5317944 0.85 HDAC3 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5314878 0.84 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5319499 0.83 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5341620 0.81 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5318034 0.81 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5317714 0.80 HDAC3 (0.91) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5661136 0.80 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4774373 0.79 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4777866 0.79 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2

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-2007067994-A1 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2007-06-14 WO disclosed