SCHEMBL5129109

SCHEMBL5129109

CN(C)CCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)COS(C)(=O)=O)cn2)cc1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 13/20 0.72
HDAC4 P56524 13/20 0.72
HDAC1 Q13547 13/20 0.72
HDAC7 Q8WUI4 13/20 0.72
HDAC2 Q92769 13/20 0.72
HDAC10 Q969S8 13/20 0.72
HDAC11 Q96DB2 13/20 0.72
HDAC8 Q9BY41 13/20 0.72
HDAC6 Q9UBN7 13/20 0.72
HDAC9 Q9UKV0 13/20 0.72
HDAC5 Q9UQL6 13/20 0.72
CACNA1B Q00975 7/20 0.48
CACNA1H O95180 5/20 0.47

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
SCHEMBL4778838 0.86 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4774385 0.84 HDAC3 (0.96) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4777866 0.84 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL4779945 0.83 HDAC3 (0.98) HDAC3HDAC4HDAC1HDAC7HDAC2
Bromide SCHEMBL5131584 0.83 HDAC3 (0.98) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4774373 0.82 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14498713 0.81 HDAC3 (0.98) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4795224 0.81 HDAC3 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4775537 0.79 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
Malic Acid SCHEMBL4777460 0.76 HDAC3 (0.83) 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-2008073733-A1 SALTS OF INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-06-19 WO claimed