SCHEMBL3957908

SCHEMBL3957908

NNC(=S)NCCCCC(NC(=O)O)C(=O)Nc1nc(-c2ccccc2)cs1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 17/20 0.58
HDAC1 Q13547 15/20 0.58
HDAC4 P56524 16/20 0.58
HDAC3 O15379 14/20 0.58
HDAC7 Q8WUI4 14/20 0.58
HDAC2 Q92769 14/20 0.58
HDAC10 Q969S8 14/20 0.58
HDAC11 Q96DB2 14/20 0.58
HDAC8 Q9BY41 14/20 0.58
HDAC9 Q9UKV0 14/20 0.58
HDAC5 Q9UQL6 14/20 0.58
MEN1 O00255 1/20 0.48
STAT3 P40763 1/20 0.48
KMT2A Q03164 1/20 0.48
MEF2D Q14814 2/20 0.47
EP300 Q09472 1/20 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
SCHEMBL21224173 0.89 HDAC6 (0.62) HDAC6HDAC1HDAC4HDAC3HDAC7
SCHEMBL8076745 0.88 HDAC1 (0.73) HDAC6HDAC1HDAC4HDAC3HDAC7
SCHEMBL3957970 0.87 HDAC6 (0.57) HDAC6HDAC1HDAC4HDAC3HDAC7
SCHEMBL3951172 0.86 HDAC6 (0.57) HDAC6HDAC1HDAC4HDAC3HDAC7
SCHEMBL5472600 0.84 HDAC6 (0.61) HDAC6HDAC1HDAC4HDAC3HDAC7
SCHEMBL5366535 0.83 HDAC6 (0.60) HDAC6HDAC1HDAC4HDAC3HDAC7
SCHEMBL5451808 0.82 HDAC6 (0.59) HDAC6HDAC1HDAC4HDAC3HDAC7
SCHEMBL5327667 0.82 HDAC6 (0.82) HDAC6HDAC1HDAC4HDAC3HDAC7
SCHEMBL5328254 0.82 HDAC6 (0.81) HDAC6HDAC1HDAC4HDAC3HDAC7
SCHEMBL28528489 0.81 HDAC6 (0.58) HDAC6HDAC1HDAC4HDAC3HDAC7

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