SCHEMBL4021608

SCHEMBL4021608

C=Cc1cccc2c1cc(C)n2S(=O)(=O)c1ccccc1.C=Cc1cccc2c1ccn2S(=O)(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
HTR6 P50406 17/20 0.50
HTR1A P08908 3/20 0.46
DRD2 P14416 2/20 0.46
HTR1D P28221 2/20 0.46
HTR1B P28222 2/20 0.46
HTR1F P30939 2/20 0.46
HTR7 P34969 2/20 0.46
DRD3 P35462 2/20 0.46
HTR2A P28223 1/20 0.46

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
SCHEMBL3622147 0.91 BRD4 (0.43) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL3619658 0.88 HTR6 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3622901 0.82 KDM4E (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28781696 0.81 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2131849 0.79 KDM4E (0.47) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL3611095 0.78 FABP4 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4029769 0.78 HTR6 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3613863 0.77 HTR6 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL743239 0.76 HTR6 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4023676 0.76 KDM4E (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2

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-2046741-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (publ) (SE) 2009-04-15 EP disclosed
WO-2008003703-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (PUBL) (SE) 2008-01-10 WO disclosed