SCHEMBL8079294

SCHEMBL8079294

CC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)c1nc2cccc(NC(=O)c3ccc(F)cc3)c2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.49
HDAC3 O15379 3/20 0.49
HDAC4 P56524 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC7 Q8WUI4 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC10 Q969S8 3/20 0.49
HDAC11 Q96DB2 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC9 Q9UKV0 3/20 0.49
HDAC5 Q9UQL6 3/20 0.49
AAK1 Q2M2I8 2/20 0.40
MAPT P10636 1/20 0.40
SIRT5 Q9NXA8 2/20 0.39
SIRT2 Q8IXJ6 8/20 0.39
SIRT1 Q96EB6 7/20 0.39
SIRT3 Q9NTG7 4/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TGM2 P21980 1/20 0.38

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
SCHEMBL8069944 0.84 HDAC1 (0.57) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL8079292 0.82 HDAC1 (0.53) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL8117247 0.78 HDAC6 (0.63) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL4048387 0.73 MAPT (0.57) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL8079286 0.73 HDAC3 (0.70) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL8059127 0.73 HDAC3 (0.49) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL8059137 0.73 MAPT (0.47) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL8075112 0.72 SSTR1 (0.56) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL8070047 0.71 HDAC1 (0.53) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL8081630 0.71 HDAC6 (0.47) HDAC6HDAC3HDAC4HDAC1HDAC7

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