SCHEMBL1083142

SCHEMBL1083142

Nc1cc(-c2cccs2)ccc1NC(=O)c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.61
HDAC3 O15379 8/20 0.61
HDAC2 Q92769 5/20 0.61
HDAC4 P56524 3/20 0.61
HDAC7 Q8WUI4 3/20 0.61
HDAC10 Q969S8 3/20 0.61
HDAC11 Q96DB2 3/20 0.61
HDAC8 Q9BY41 3/20 0.61
HDAC6 Q9UBN7 3/20 0.61
HDAC9 Q9UKV0 3/20 0.61
HDAC5 Q9UQL6 3/20 0.61
GBA1 P04062 1/20 0.49
KCNH2 Q12809 5/20 0.46
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL1068649 0.94 HDAC1 (0.61) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL1065855 0.86 HDAC1 (0.55) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL1662906 0.85 HDAC1 (0.74) HDAC1HDAC3HDAC2HDAC4HDAC7
R-306465 SCHEMBL31237823 0.77 HDAC3 (1.00) HDAC1HDAC3HDAC2HDAC4HDAC7
R-306465 SCHEMBL1663202 0.77 HDAC3 (1.00) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL4578779 0.76 HDAC3 (0.80) HDAC1HDAC3HDAC2KCNH2
SCHEMBL335493 0.74 HDAC3 (0.78) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL10225878 0.74 HDAC3 (0.92) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL4580669 0.73 HDAC1 (0.68) HDAC1HDAC3HDAC2KCNH2
SCHEMBL10224676 0.72 HDAC1 (0.58) HDAC1HDAC3HDAC2HDAC4HDAC7

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
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed