SCHEMBL6237456

SCHEMBL6237456

CCOC(=O)/C=C/C(C)=C/c1ccc(NS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.67
HDAC6 Q9UBN7 6/20 0.67
HDAC3 O15379 5/20 0.67
HDAC4 P56524 5/20 0.67
HDAC7 Q8WUI4 5/20 0.67
HDAC2 Q92769 5/20 0.67
HDAC10 Q969S8 5/20 0.67
HDAC11 Q96DB2 5/20 0.67
HDAC8 Q9BY41 5/20 0.67
HDAC9 Q9UKV0 5/20 0.67
HDAC5 Q9UQL6 5/20 0.67
MAPT P10636 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 3/20 0.50
LMNA P02545 3/20 0.50
POLB P06746 1/20 0.49
MCL1 Q07820 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL6239623 1.00 HDAC1 (0.67) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL6244200 0.89 HDAC1 (0.69) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL6241988 0.89 HDAC1 (0.69) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL6239949 0.88 HDAC1 (0.71) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL6239953 0.88 HDAC1 (0.71) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL14425342 0.87 HDAC1 (0.64) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL6242242 0.84 HDAC1 (0.79) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL6242252 0.84 HDAC1 (0.79) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL6239619 0.83 KMT2A (0.55) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL6237618 0.81 HDAC1 (0.66) HDAC1HDAC6HDAC3HDAC4HDAC7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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