SCHEMBL5317170

SCHEMBL5317170

CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)CSC(C)=O)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 18/20 0.79
HDAC4 P56524 18/20 0.79
HDAC1 Q13547 18/20 0.79
HDAC7 Q8WUI4 18/20 0.79
HDAC2 Q92769 18/20 0.79
HDAC10 Q969S8 18/20 0.79
HDAC11 Q96DB2 18/20 0.79
HDAC8 Q9BY41 18/20 0.79
HDAC6 Q9UBN7 18/20 0.79
HDAC9 Q9UKV0 18/20 0.79
HDAC5 Q9UQL6 18/20 0.79
MEN1 O00255 1/20 0.61
ALDH1A1 P00352 1/20 0.61
MAPK1 P28482 1/20 0.61
KMT2A Q03164 1/20 0.61

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
SCHEMBL8240036 0.88 HDAC3 (0.81) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5316179 0.88 HDAC3 (0.81) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4810207 0.88 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5317010 0.88 HDAC3 (0.81) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8275073 0.87 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8274493 0.87 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8275654 0.87 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8273420 0.87 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8275070 0.86 HDAC3 (0.90) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8274489 0.86 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-2007067993-A1 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2007-06-14 WO disclosed