SCHEMBL4052271

SCHEMBL4052271

CNC(=S)NCCCCC(NC(=O)O)c1cc(-c2ccc3ccccc3c2)[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 18/20 0.41
HDAC1 Q13547 14/20 0.41
HDAC2 Q92769 9/20 0.39
HDAC8 Q9BY41 4/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL4058487 0.84 MAPT (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4049526 0.76 ADORA3 (0.38) HDAC1HDAC6
SCHEMBL4163303 0.74 HDAC1 (0.60) HDAC3HDAC1HDAC2HDAC8HDAC10
SCHEMBL22501426 0.72 HDAC3 (0.61) HDAC3HDAC1HDAC2HDAC8HDAC10
SCHEMBL3959226 0.71 ALDH1A1 (0.56) HDAC3HDAC1HDAC2HDAC8HDAC10
SCHEMBL4417100 0.67 HDAC1 (0.75) HDAC3HDAC1HDAC2HDAC8HDAC10
SCHEMBL17183373 0.67 HDAC1 (0.75) HDAC3HDAC1HDAC2HDAC8HDAC10
SCHEMBL3955607 0.66 SIRT1 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC10
SCHEMBL22501404 0.65 HDAC3 (0.53) HDAC3HDAC1HDAC2HDAC8HDAC10
SCHEMBL4152088 0.65 HDAC1 (0.63) HDAC3HDAC1HDAC2HDAC8HDAC10

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