SCHEMBL5315570

SCHEMBL5315570

COCCOc1ccc(S(=O)(=O)Nc2ccc(C(C)=O)cn2)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 16/20 0.68
HDAC4 P56524 16/20 0.68
HDAC1 Q13547 16/20 0.68
HDAC7 Q8WUI4 16/20 0.68
HDAC2 Q92769 16/20 0.68
HDAC10 Q969S8 16/20 0.68
HDAC11 Q96DB2 16/20 0.68
HDAC8 Q9BY41 16/20 0.68
HDAC6 Q9UBN7 16/20 0.68
HDAC9 Q9UKV0 16/20 0.68
HDAC5 Q9UQL6 16/20 0.68
LIMK2 P53671 1/20 0.50
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL5318016 0.88 HDAC3 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5318662 0.88 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5315984 0.87 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4795224 0.86 HDAC3 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5317714 0.86 HDAC3 (0.91) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4778838 0.85 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5331144 0.82 HDAC3 (0.78) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5318034 0.81 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5315375 0.80 HDAC3 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4771765 0.79 HDAC3 (0.53) 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 2 patents. 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
WO-2007067993-A1 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2007-06-14 WO disclosed