SCHEMBL14159462

SCHEMBL14159462

Nc1cccc(N2CCN(S(=O)(=O)c3cccc(/C=C/C(=O)NO)c3)CC2)c1

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.82
HDAC3 O15379 16/20 0.82
HDAC4 P56524 16/20 0.82
HDAC7 Q8WUI4 16/20 0.82
HDAC2 Q92769 16/20 0.82
HDAC10 Q969S8 16/20 0.82
HDAC11 Q96DB2 16/20 0.82
HDAC8 Q9BY41 16/20 0.82
HDAC6 Q9UBN7 16/20 0.82
HDAC9 Q9UKV0 16/20 0.82
HDAC5 Q9UQL6 16/20 0.82
GCK P35557 1/20 0.51

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
SCHEMBL1377817 0.90 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1377819 0.90 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1374007 0.90 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1374010 0.90 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL14159463 0.89 HDAC1 (0.81) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL12431862 0.89 HDAC1 (0.81) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1377260 0.88 HDAC1 (0.85) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1377257 0.88 HDAC1 (0.85) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1374019 0.87 HDAC1 (0.87) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1374015 0.87 HDAC1 (0.87) HDAC1HDAC3HDAC4HDAC7HDAC2

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
EP-1492534-B1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LTD (GB) 2008-06-25 EP disclosed