SCHEMBL1114176

SCHEMBL1114176

O=C(OS(=O)(=O)C(F)(F)F)C1=CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 3/20 0.43
HDAC4 P56524 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
CTSK P43235 1/20 0.36
MAPT P10636 1/20 0.33
CCR2 P41597 1/20 0.31
HSD11B1 P28845 1/20 0.30

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
SCHEMBL1114175 0.87 HDAC4 (0.41) HDAC2HDAC4HDAC8HDAC6HDAC3
SCHEMBL28738698 0.79 HDAC2 (0.46) HDAC2HDAC4HDAC8HDAC6HDAC3
Bicarbonate SCHEMBL8894712 0.74 HDAC2 (0.52) HDAC2HDAC4HDAC8HDAC6HDAC3
SCHEMBL17720808 0.74 HDAC4 (0.38) HDAC2HDAC4HDAC8HDAC6HDAC3
SCHEMBL8429199 0.74 HDAC2 (0.55) HDAC2HDAC4HDAC8HDAC6HDAC3
SCHEMBL201444 0.74 HDAC4 (0.32) HDAC2HDAC4HDAC8HDAC6
SCHEMBL17720792 0.73 HDAC4 (0.37) HDAC2HDAC4HDAC8HDAC6HDAC3
SCHEMBL12192210 0.72 BACE1 (0.31) HDAC2HDAC4HDAC8HDAC6
SCHEMBL16081682 0.72 BACE1 (0.31) HDAC2HDAC4HDAC8HDAC6
SCHEMBL5830 0.72 BACE1 (0.31) HDAC2HDAC4HDAC8HDAC6

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
EP-2279174-A2 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Genentech, Inc. (US) 2011-02-02 EP disclosed
WO-2009143246-A2 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2009-11-26 WO disclosed