SCHEMBL8348459

SCHEMBL8348459

Nc1ccccc1NC(=O)/C=C/c1ccc(CCNC(=O)OCc2cccnc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 7/20 0.68
MEF2D Q14814 2/20 0.68
HDAC1 Q13547 17/20 0.59
HDAC2 Q92769 7/20 0.59
HDAC3 O15379 6/20 0.59
HDAC7 Q8WUI4 5/20 0.59
HDAC10 Q969S8 5/20 0.59
HDAC11 Q96DB2 5/20 0.59
HDAC8 Q9BY41 5/20 0.59
HDAC6 Q9UBN7 5/20 0.59
HDAC9 Q9UKV0 5/20 0.59
HDAC5 Q9UQL6 5/20 0.59
KDM1A O60341 1/20 0.59
CYP3A4 P08684 1/20 0.59
F3 P13726 1/20 0.59
NCOR2 Q9Y618 1/20 0.59
NAMPT P43490 1/20 0.48
KCNH2 Q12809 1/20 0.47

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
SCHEMBL2733294 0.91 HDAC1 (0.72) HDAC4MEF2DHDAC1HDAC2HDAC3
SCHEMBL3553336 0.91 HDAC1 (0.72) HDAC4MEF2DHDAC1HDAC2HDAC3
SCHEMBL1062995 0.87 HDAC4 (0.81) HDAC4MEF2DHDAC1HDAC2HDAC3
SCHEMBL12934184 0.87 HDAC4 (0.81) HDAC4MEF2DHDAC1HDAC2HDAC3
SCHEMBL21232146 0.81 HDAC4 (1.00) HDAC4MEF2DHDAC1HDAC2HDAC3
SCHEMBL4269528 0.80 HDAC1 (0.82) HDAC4HDAC1HDAC2HDAC3HDAC7
SCHEMBL4269526 0.80 HDAC1 (0.82) HDAC4HDAC1HDAC2HDAC3HDAC7
SCHEMBL1060139 0.79 HTR5A (0.47) HDAC4MEF2DHDAC1HDAC2HDAC3
SCHEMBL20109470 0.79 HDAC1 (0.79) HDAC4HDAC1HDAC2HDAC3HDAC7
SCHEMBL1065310 0.77 HDAC1 (0.79) HDAC4MEF2DHDAC1HDAC3HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
WO-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 WO disclosed