SCHEMBL8076745

SCHEMBL8076745

NNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.73
HDAC2 Q92769 11/20 0.73
HDAC6 Q9UBN7 11/20 0.73
HDAC3 O15379 10/20 0.73
HDAC4 P56524 10/20 0.73
HDAC7 Q8WUI4 10/20 0.73
HDAC10 Q969S8 10/20 0.73
HDAC11 Q96DB2 10/20 0.73
HDAC8 Q9BY41 10/20 0.73
HDAC9 Q9UKV0 10/20 0.73
HDAC5 Q9UQL6 10/20 0.73
SIRT2 Q8IXJ6 5/20 0.58
SIRT1 Q96EB6 3/20 0.58
SIRT3 Q9NTG7 3/20 0.58
SIRT5 Q9NXA8 3/20 0.56

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
SCHEMBL8061127 0.89 HDAC1 (0.72) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL8068180 0.88 HDAC6 (0.75) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL3957908 0.88 HDAC6 (0.58) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL8076740 0.86 HDAC1 (0.68) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL8117831 0.86 HDAC6 (0.77) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL8119450 0.85 HDAC6 (0.76) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL3958560 0.85 HDAC6 (0.71) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL8113232 0.85 HDAC6 (0.76) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL8115307 0.85 HDAC6 (1.00) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL8063634 0.84 HDAC6 (0.70) HDAC1HDAC2HDAC6HDAC3HDAC4

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-2009026701-A1 SIRTUIN INHIBITORS METHYLGENE INC. (CA) 2009-03-05 WO disclosed