SCHEMBL1114175

SCHEMBL1114175

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
CTSK P43235 1/20 0.38
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
CCR2 P41597 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL1114176 0.87 HDAC2 (0.43) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL28738699 0.79 HDAC2 (0.44) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL2022335 0.76 HDAC2 (0.52) HDAC4HDAC2HDAC8HDAC6CTSK
Bicarbonate SCHEMBL8894712 0.72 HDAC2 (0.52) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL17720808 0.72 HDAC4 (0.38) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL8429199 0.72 HDAC2 (0.55) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL201444 0.71 HDAC4 (0.32) HDAC4HDAC2HDAC8HDAC6
SCHEMBL29288037 0.71 HDAC2 (0.47) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL17720792 0.71 HDAC4 (0.37) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL12192210 0.70 BACE1 (0.31) HDAC4HDAC2HDAC8HDAC6

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