SCHEMBL6240458

SCHEMBL6240458

COc1ccc(S(=O)(=O)Nc2ccccc2/C=C(C)/C=C/C(=O)NO)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.68
HDAC4 P56524 6/20 0.68
HDAC3 O15379 5/20 0.68
HDAC7 Q8WUI4 5/20 0.68
HDAC2 Q92769 5/20 0.68
HDAC10 Q969S8 5/20 0.68
HDAC11 Q96DB2 5/20 0.68
HDAC8 Q9BY41 5/20 0.68
HDAC6 Q9UBN7 5/20 0.68
HDAC9 Q9UKV0 5/20 0.68
HDAC5 Q9UQL6 5/20 0.68
SNCA P37840 1/20 0.56
KEAP1 Q14145 3/20 0.51
NFE2L2 Q16236 2/20 0.50
SQSTM1 Q13501 1/20 0.49
LMNA P02545 4/20 0.48
HPGD P15428 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TP53 P04637 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48

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
SCHEMBL6242249 0.78 HDAC1 (0.52) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL6942450 0.75 SNCA (0.54) SNCAKEAP1NFE2L2SQSTM1LMNA
SCHEMBL6942459 0.75 SNCA (0.54) SNCAKEAP1NFE2L2SQSTM1LMNA
SCHEMBL12768028 0.74 KEAP1 (0.81) SNCAKEAP1NFE2L2SQSTM1LMNA
SCHEMBL6239619 0.73 KMT2A (0.55) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL6949416 0.72 CCR9 (0.52) SNCAKEAP1NFE2L2SQSTM1LMNA
SCHEMBL6949415 0.72 CCR9 (0.52) SNCAKEAP1NFE2L2SQSTM1LMNA
SCHEMBL8626209 0.72 LMNA (0.72) KEAP1NFE2L2SQSTM1LMNAHPGD
SCHEMBL1403255 0.72 HDAC8 (0.64) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL26042896 0.71 SNCA (0.74) HDAC1SNCAKEAP1NFE2L2SQSTM1

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
WO-2005011661-A1 PHARMACEUTICAL AGENTS UNIVERSITY COLLEGE LONDON (GB) 2005-02-10 WO disclosed