SCHEMBL4962904

SCHEMBL4962904

O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)[O-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.40
HDAC7 Q8WUI4 11/20 0.40
HDAC8 Q9BY41 11/20 0.40
HDAC6 Q9UBN7 10/20 0.40
HDAC3 O15379 3/20 0.40
HDAC4 P56524 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC9 Q9UKV0 3/20 0.40
HDAC5 Q9UQL6 3/20 0.40
CES1 P23141 2/20 0.35
CA2 P00918 2/20 0.33
THRB P10828 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CA4 P22748 1/20 0.33
CA1 P00915 1/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL4962900 0.95 THRB (0.42) HDAC1HDAC7HDAC8HDAC6HDAC3
SCHEMBL4962222 0.95 THRB (0.42) HDAC1HDAC7HDAC8HDAC6HDAC3
SCHEMBL4962460 0.95 THRB (0.42) HDAC1HDAC7HDAC8HDAC6HDAC3
SCHEMBL4962404 0.95 THRB (0.42) HDAC1HDAC7HDAC8HDAC6HDAC3
SCHEMBL29746113 0.93 THRB (0.39) HDAC1HDAC7HDAC8HDAC6HDAC3
SCHEMBL1573975 0.93 THRB (0.39) HDAC1HDAC7HDAC8HDAC6HDAC3
SCHEMBL29745841 0.91 CES1 (0.34) HDAC1HDAC7HDAC8HDAC6HDAC3
SCHEMBL545780 0.91 CES1 (0.34) HDAC1HDAC7HDAC8HDAC6HDAC3
SCHEMBL4964687 0.90 CES1 (0.39) HDAC1HDAC7HDAC8HDAC6HDAC3
SCHEMBL6656488 0.87 MAPK1 (0.37) HDAC1HDAC7HDAC8HDAC6HDAC3

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
EP-1314725-B1 SULFONIUM SALT COMPOUND WAKO PURE CHEM IND LTD (JP) 2008-03-19 EP claimed