SCHEMBL4306544

SCHEMBL4306544

Cc1ccc(S(=O)(=O)n2ccc3c(ON4CCCCC4)cccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.54
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALOX5 P09917 1/20 0.45
BCHE P06276 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44

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
SCHEMBL13323322 0.81 HTR6 (0.80) HTR6MEN1KMT2ABCHE
SCHEMBL3684432 0.76 HTR6 (0.58) HTR6HTR1ADRD2HTR2A
SCHEMBL30285388 0.76 HTR6 (0.58) HTR6HTR1ADRD2HTR2A
SCHEMBL3623511 0.75 HTR6 (0.83) HTR6HTR1ADRD2
SCHEMBL6568508 0.74 HTR6 (0.57) HTR6MEN1KMT2ABCHE
SCHEMBL4845719 0.74 MEN1 (0.53) HTR6MEN1KMT2ABCHE
SCHEMBL4312739 0.74 HTR6 (0.56) HTR6MEN1KMT2ABCHEDRD2
SCHEMBL31092832 0.74 HTR6 (0.58) HTR6ALOX5HTR1ADRD2HTR2A
SCHEMBL3199486 0.74 HTR6 (0.53) HTR6MEN1KMT2ABCHE
SCHEMBL4560894 0.73 HTR6 (0.56) HTR6MEN1KMT2ABCHEHTR1A

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
US-7524839-B2 Compounds, their use and preparation BIOVITRUM AM (PUBL.) 2009-04-28 US claimed
US-7087750-B2 Compounds, their use and preparation BIOVITRUM AB (SE) 2006-08-08 US claimed