SCHEMBL5020753

SCHEMBL5020753

CC(=O)/C=C/c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 9/20 0.78
▸ ALDH1A1 P00352 2/20 0.67
▸ LMNA P02545 2/20 0.67
▸ SMN1; SMN2 Q16637 2/20 0.67
▸ GAA P10253 1/20 0.67
▸ ATM Q13315 1/20 0.61
▸ HDAC8 Q9BY41 7/20 0.58
▸ HDAC4 P56524 7/20 0.58
▸ HDAC3 O15379 5/20 0.58
▸ HDAC7 Q8WUI4 5/20 0.58
▸ HDAC2 Q92769 5/20 0.58
▸ HDAC10 Q969S8 5/20 0.58
▸ HDAC11 Q96DB2 5/20 0.58
▸ HDAC6 Q9UBN7 5/20 0.58
▸ HDAC9 Q9UKV0 5/20 0.58
▸ HDAC5 Q9UQL6 5/20 0.58
▸ PLAU P00749 2/20 0.57
▸ PLA2G7 Q13093 1/20 0.56
▸ PKM P14618 1/20 0.55
▸ PKLR P30613 1/20 0.55

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
SCHEMBL5047233 0.88 HDAC1 (1.00) HDAC1HDAC8HDAC4HDAC3HDAC7
SCHEMBL1403306 0.84 HDAC1 (0.72) HDAC1ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL1403305 0.84 HDAC1 (0.72) HDAC1ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL1403089 0.82 HDAC1 (0.70) HDAC1ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL1403548 0.82 HDAC1 (0.91) HDAC1HDAC8HDAC4HDAC3HDAC7
SCHEMBL1403091 0.82 HDAC1 (0.70) HDAC1ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL1403546 0.82 HDAC1 (0.91) HDAC1HDAC8HDAC4HDAC3HDAC7
SCHEMBL5020774 0.82 HDAC1 (0.77) HDAC1HDAC8HDAC4HDAC3HDAC7
SCHEMBL5020744 0.82 PKM (0.58) HDAC1ALDH1A1LMNAHDAC8HDAC4
SCHEMBL5020759 0.81 HDAC1 (0.77) HDAC1ALDH1A1LMNAHDAC8HDAC4

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
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