SCHEMBL5020752

SCHEMBL5020752

CC(=O)/C=C/c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.77
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
ALDH1A1 P00352 2/20 0.66
KDM4E B2RXH2 1/20 0.66
CYP3A4 P08684 1/20 0.66
HPGD P15428 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
P4HB P07237 2/20 0.57
CA2 P00918 2/20 0.57
CA1 P00915 1/20 0.57
HDAC4 P56524 6/20 0.56
HDAC8 Q9BY41 5/20 0.56
CA12 O43570 1/20 0.56
CA9 Q16790 1/20 0.56
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HDAC3 O15379 3/20 0.52
HDAC7 Q8WUI4 3/20 0.52
HDAC2 Q92769 3/20 0.52

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
SCHEMBL5047215 0.87 HDAC1 (1.00) HDAC1MEN1KMT2AALDH1A1KDM4E
SCHEMBL5020769 0.84 HDAC1 (0.78) HDAC1MEN1KMT2AALDH1A1HPGD
SCHEMBL15238912 0.83 MEN1 (0.69) MEN1KMT2ATDP1MAPT
SCHEMBL811912 0.83 MEN1 (0.69) MEN1KMT2ATDP1MAPT
SCHEMBL279483 0.83 MEN1 (0.69) MEN1KMT2ATDP1MAPT
SCHEMBL5020756 0.83 HDAC1 (0.76) HDAC1CA2CA1HDAC4HDAC8
SCHEMBL5020762 0.83 HDAC1 (0.76) HDAC1MEN1KMT2AKDM4EHDAC4
SCHEMBL3484305 0.82 HDAC1 (0.69) HDAC1P4HB
SCHEMBL3484304 0.82 HDAC1 (0.69) HDAC1P4HB
SCHEMBL5020765 0.81 HDAC1 (0.79) HDAC1MEN1KMT2AALDH1A1CYP3A4

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