SCHEMBL5020746

SCHEMBL5020746

CC(=O)/C=C/c1ccc(NS(=O)(=O)c2ccccn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.49
HDAC4 P56524 7/20 0.49
HDAC8 Q9BY41 7/20 0.49
HDAC3 O15379 5/20 0.49
HDAC7 Q8WUI4 5/20 0.49
HDAC2 Q92769 5/20 0.49
HDAC10 Q969S8 5/20 0.49
HDAC11 Q96DB2 5/20 0.49
HDAC6 Q9UBN7 5/20 0.49
HDAC9 Q9UKV0 5/20 0.49
HDAC5 Q9UQL6 5/20 0.49
GLA P06280 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 2/20 0.43
HTT P42858 1/20 0.43
METAP2 P50579 1/20 0.42

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
SCHEMBL5048456 0.87 HDAC1 (0.66) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL5020749 0.77 HDAC1 (0.80) HDAC1MEN1KMT2AMAPTHTT
SCHEMBL5012450 0.76 ALDH1A1 (0.60) MEN1KMT2AKDM4EHTTMETAP2
SCHEMBL5020754 0.76 KEAP1 (0.55) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL8164647 0.75 GLO1 (0.55) MEN1KMT2AKDM4EMETAP2
SCHEMBL5020774 0.75 HDAC1 (0.77) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL5332392 0.75 TSHR (0.52) MEN1KMT2AMAPTHTTMETAP2
SCHEMBL5020747 0.73 HDAC1 (0.78) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL5020753 0.73 HDAC1 (0.78) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL29184120 0.73 KDM4E (0.58) MEN1KMT2AMAPTKDM4E

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