SCHEMBL3429045

SCHEMBL3429045

CCCCCCCCCCCCCCn1cc(-c2ccccc2)nn1.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 15/20 0.53
HDAC6 Q9UBN7 14/20 0.53
HDAC2 Q92769 12/20 0.53
HDAC3 O15379 11/20 0.53
HDAC4 P56524 11/20 0.53
HDAC1 Q13547 11/20 0.53
HDAC7 Q8WUI4 11/20 0.53
HDAC10 Q969S8 11/20 0.53
HDAC11 Q96DB2 11/20 0.53
HDAC9 Q9UKV0 11/20 0.53
HDAC5 Q9UQL6 11/20 0.53
NAMPT P43490 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
PTGS2 P35354 1/20 0.45

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
SCHEMBL3429548 1.00 HDAC8 (0.53) HDAC8HDAC6HDAC2HDAC3HDAC4
SCHEMBL1883840 0.91 HDAC8 (0.51) HDAC8HDAC6HDAC2HDAC3HDAC4
SCHEMBL1888507 0.91 HDAC8 (0.51) HDAC8HDAC6HDAC2HDAC3HDAC4
SCHEMBL3429217 0.91 PTGS2 (0.48) HDAC8HDAC6HDAC2HDAC3HDAC4
SCHEMBL3407901 0.86 CYP19A1 (0.47) HDAC8HDAC6HDAC2HDAC3HDAC4
SCHEMBL16271201 0.84 HDAC8 (0.61) HDAC8HDAC6HDAC2HDAC3HDAC4
SCHEMBL2189376 0.84 HDAC8 (0.61) HDAC8HDAC6HDAC2HDAC3HDAC4
SCHEMBL4224259 0.84 HDAC8 (0.61) HDAC8HDAC6HDAC2HDAC3HDAC4
Bromide SCHEMBL1890168 0.83 HDAC8 (0.60) HDAC8HDAC6HDAC2HDAC3HDAC4
Bromide SCHEMBL1881301 0.83 HDAC8 (0.60) HDAC8HDAC6HDAC2HDAC3HDAC4

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-2254871-A1 SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AS IONIC FLUIDS Technische Universität Dresden (DE) 2010-12-01 EP disclosed
WO-2009095012-A1 SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AND THE USE THEREOF Technische Universität Dresden (DE) 2009-08-06 WO disclosed