SCHEMBL4048438

SCHEMBL4048438

CCSNCCCCC(NC(=O)O)c1ncc(-c2ccccc2)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.52
HDAC2 Q92769 4/20 0.52
HDAC3 O15379 3/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC8 Q9BY41 1/20 0.52
FPR1 P21462 1/20 0.47
HDAC4 P56524 1/20 0.46

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 0.81 HDAC1 (0.34) HDAC1HDAC2HDAC3HDAC6HDAC8
SCHEMBL4416660 0.81 HDAC1 (0.72) HDAC1HDAC2HDAC3HDAC6HDAC8
SCHEMBL4048617 0.81 KDM4E (0.43)
SCHEMBL4048868 0.76 ADORA3 (0.41) HDAC1HDAC6
SCHEMBL4048878 0.76 HDAC1 (0.33) HDAC1HDAC2HDAC3HDAC6HDAC8
SCHEMBL22501426 0.75 HDAC3 (0.61) HDAC1HDAC2HDAC3HDAC6HDAC8
SCHEMBL2073773 0.74 HDAC1 (0.73) HDAC1HDAC2HDAC3HDAC6HDAC8
SCHEMBL4055945 0.73 ALDH1A1 (0.41) HDAC1HDAC2HDAC3HDAC6HDAC8
SCHEMBL4163303 0.73 HDAC1 (0.60) HDAC1HDAC2HDAC3HDAC8
SCHEMBL2073554 0.72 HDAC1 (0.76) HDAC1HDAC2HDAC3HDAC6HDAC8

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