SCHEMBL5020749

SCHEMBL5020749

CC(=O)/C=C/c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.80
ALDH1A1 P00352 3/20 0.65
GAA P10253 1/20 0.65
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
TP53 P04637 1/20 0.61
HTT P42858 1/20 0.61
PKM P14618 1/20 0.57
PKLR P30613 2/20 0.54
GFER P55789 1/20 0.54
FABP1 P07148 1/20 0.53
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.51

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
SCHEMBL5020619 0.89 HDAC1 (1.00) HDAC1ALDH1A1GAAMEN1KMT2A
SCHEMBL18753536 0.82 ALDH1A1 (0.78) HDAC1ALDH1A1GAAMEN1KMT2A
SCHEMBL17696037 0.82 MEN1 (0.71) HDAC1ALDH1A1GAAMEN1KMT2A
SCHEMBL5020747 0.81 HDAC1 (0.78) HDAC1ALDH1A1HTT
SCHEMBL10192086 0.79 MEN1 (0.75) HDAC1ALDH1A1GAAMEN1KMT2A
SCHEMBL808364 0.79 ALDH1A1 (1.00) HDAC1ALDH1A1GAAMEN1KMT2A
SCHEMBL15480551 0.79 MEN1 (0.73) HDAC1ALDH1A1GAAMEN1KMT2A
SCHEMBL30708093 0.78 ALDH1A1 (0.76) HDAC1ALDH1A1GAAMEN1KMT2A
SCHEMBL2702246 0.78 ALDH1A1 (0.76) HDAC1ALDH1A1GAAMEN1KMT2A
SCHEMBL17210223 0.78 ALDH1A1 (1.00) HDAC1ALDH1A1GAAMEN1KMT2A

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