SCHEMBL5314878

SCHEMBL5314878

CC(=O)c1ccc(NS(=O)(=O)c2ccc(OCCCC3CCNC3)cc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 15/20 0.52
HDAC4 P56524 15/20 0.52
HDAC1 Q13547 15/20 0.52
HDAC7 Q8WUI4 15/20 0.52
HDAC2 Q92769 15/20 0.52
HDAC10 Q969S8 15/20 0.52
HDAC11 Q96DB2 15/20 0.52
HDAC8 Q9BY41 15/20 0.52
HDAC6 Q9UBN7 15/20 0.52
HDAC9 Q9UKV0 15/20 0.52
HDAC5 Q9UQL6 15/20 0.52
ITGB3 P05106 3/20 0.43
ITGA2B P08514 3/20 0.43
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41

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 0.89 HDAC3 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5316731 0.84 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5318016 0.80 HDAC3 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5315984 0.79 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5315570 0.78 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4778838 0.78 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4795224 0.76 HDAC3 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5331144 0.76 HDAC3 (0.78) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5185638 0.75 MAPT (0.56) ITGB3ITGA2B
SCHEMBL5315375 0.74 HDAC3 (0.79) 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