SCHEMBL4408133

SCHEMBL4408133

Nc1ccccc1NC(=O)c1ccccc1N1CCC(Nc2ccccn2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.46
HDAC3 O15379 4/20 0.46
HDAC4 P56524 3/20 0.46
HDAC7 Q8WUI4 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC10 Q969S8 3/20 0.46
HDAC11 Q96DB2 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC9 Q9UKV0 3/20 0.46
HDAC5 Q9UQL6 3/20 0.46
PIM3 Q86V86 3/20 0.45
PIM1 P11309 2/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NOS2 P35228 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL2406165 0.84 HDAC1 (0.55) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2406167 0.84 HDAC1 (0.55) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2406672 0.70 HDAC1 (0.55) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2406671 0.70 HDAC1 (0.55) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL209692 0.69 HDAC1 (0.60) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL209691 0.69 HDAC1 (0.60) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL209897 0.69 HDAC1 (0.60) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2408945 0.69 CASR (0.54) HDAC1HDAC8HDAC6NOS2USP2
SCHEMBL210231 0.68 HDAC1 (0.53) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL210919 0.68 HDAC1 (0.53) HDAC1HDAC3HDAC4HDAC7HDAC2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134680-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2009-12-23 EP claimed
WO-2008109994-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-09-18 WO claimed
EP-2134680-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2009-12-23 EP disclosed
WO-2008109994-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-09-18 WO disclosed