SCHEMBL5020767

SCHEMBL5020767

CC(=O)/C=C/c1ccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.78
HDAC8 Q9BY41 5/20 0.78
ITGA1 P56199 4/20 0.57
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
ALOX12 P18054 1/20 0.52
KMT2A Q03164 1/20 0.52
NLRP1 Q9C000 1/20 0.52
MAPK1 P28482 1/20 0.48
PPARG P37231 4/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 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
SCHEMBL5020625 0.88 HDAC1 (1.00) HDAC1HDAC8ITGA1MAPTMEN1
SCHEMBL5020770 0.85 HDAC1 (0.79) HDAC1HDAC8
SCHEMBL5020762 0.82 HDAC1 (0.76) HDAC1HDAC8MEN1KMT2AHDAC3
SCHEMBL3267463 0.80 HDAC1 (0.66) HDAC1HDAC8ITGA1MAPTMEN1
SCHEMBL5020759 0.79 HDAC1 (0.77) HDAC1HDAC8MAPTLMNAKMT2A
SCHEMBL14018772 0.77 MAPT (0.63) HDAC1HDAC8ITGA1MAPTMEN1
SCHEMBL3268660 0.75 ITGA1 (0.68) HDAC1HDAC8ITGA1MAPTMEN1
SCHEMBL4882914 0.74 PGR (0.61) HDAC1HDAC8ITGA1MAPTMEN1
SCHEMBL94831 0.74 MAPT (0.63) HDAC1HDAC8ITGA1MAPTMEN1
SCHEMBL28121241 0.74 MAPT (0.63) HDAC1HDAC8ITGA1MAPTMEN1

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-RE43343-E1 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-05-01 US disclosed