SCHEMBL5316166

SCHEMBL5316166

COC(=O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)CSC(C)=O)cn2)cc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 19/20 0.71
HDAC4 P56524 19/20 0.71
HDAC1 Q13547 19/20 0.71
HDAC7 Q8WUI4 19/20 0.71
HDAC2 Q92769 19/20 0.71
HDAC10 Q969S8 19/20 0.71
HDAC11 Q96DB2 19/20 0.71
HDAC8 Q9BY41 19/20 0.71
HDAC6 Q9UBN7 19/20 0.71
HDAC9 Q9UKV0 19/20 0.71
HDAC5 Q9UQL6 19/20 0.71
CYP2C9 P11712 1/20 0.58

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
SCHEMBL5317655 0.87 KMT2A (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8239739 0.87 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5315936 0.87 KMT2A (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5318602 0.86 HDAC3 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14500112 0.79 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5317714 0.79 HDAC3 (0.91) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14500111 0.78 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5318034 0.78 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14500110 0.77 HDAC3 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5341620 0.77 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 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