SCHEMBL4047704

SCHEMBL4047704

CCSNCCCCC(NC(=O)O)c1ncc(Br)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.35
HDAC3 O15379 6/20 0.35
HDAC2 Q92769 4/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
ALDH1A1 P00352 1/20 0.31
KCNH2 Q12809 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC4 P56524 1/20 0.31

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
SCHEMBL4049127 0.85 HDAC1 (0.34) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL4048438 0.83 HDAC1 (0.52) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL4048617 0.74 KDM4E (0.43) ALDH1A1
SCHEMBL4055945 0.72 ALDH1A1 (0.41) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL4056394 0.71 POLB (0.33)
SCHEMBL4048878 0.68 HDAC1 (0.33) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL4048868 0.68 ADORA3 (0.41) HDAC1HDAC6ALDH1A1
SCHEMBL23797500 0.66 HDAC1 (0.46) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL4054856 0.64 DGAT1 (0.30)
SCHEMBL17183406 0.64 HDAC1 (0.49) HDAC1HDAC3

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