SCHEMBL3955607

SCHEMBL3955607

CC(=S)NCCCCC(NC(=O)O)c1c[nH]c(-c2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 5/20 0.42
SIRT2 Q8IXJ6 4/20 0.37
SIRT3 Q9NTG7 2/20 0.37
MAPT P10636 3/20 0.35
HDAC6 Q9UBN7 7/20 0.34
HDAC1 Q13547 5/20 0.34
HDAC3 O15379 5/20 0.34
HDAC2 Q92769 4/20 0.34
HDAC8 Q9BY41 4/20 0.34
HDAC4 P56524 3/20 0.34
HDAC7 Q8WUI4 3/20 0.34
HDAC10 Q969S8 3/20 0.34
HDAC11 Q96DB2 3/20 0.34
HDAC9 Q9UKV0 3/20 0.34
HDAC5 Q9UQL6 3/20 0.34
FOLH1 Q04609 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL4052446 0.84 MAPT (0.47) MAPTNPSR1
SCHEMBL4048878 0.82 HDAC1 (0.33) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL5469798 0.81 HDAC6 (0.52) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL5461533 0.76 HDAC6 (0.44) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL393077 0.75 F11 (0.40)
SCHEMBL5355871 0.73 HDAC1 (0.39) MAPTHDAC6HDAC1ALOX15HSD17B10
SCHEMBL5466807 0.73 HDAC6 (0.43) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL5363436 0.73 HDAC6 (0.55) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL4049526 0.71 ADORA3 (0.38) HDAC6HDAC1ADORA3
SCHEMBL4050458 0.71 CYP1A2 (0.41) HDAC6HDAC1HDAC3HDAC2HDAC8

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