SCHEMBL3531698

SCHEMBL3531698

CCCCNCCOc1cccc2c(S(=O)(=O)c3cccc4ccccc34)nn(C)c12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 4/20 0.47
HTR6 P50406 8/20 0.42
BCHE P06276 1/20 0.42
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 1/20 0.40
HTR1D P28221 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTR1A P08908 2/20 0.40
SLC6A4 P31645 2/20 0.40
DRD2 P14416 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
SLC2A1 P11166 1/20 0.40
HRH1 P35367 1/20 0.39

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
SCHEMBL3536099 0.91 HTR1B (0.54) HTR1BHTR6BCHEHTR1DKDM4E
SCHEMBL3529159 0.83 HTR1B (0.48) HTR1BHTR6HTR1DHTR1ADRD2
SCHEMBL3535014 0.83 HTR6 (0.45) HTR1BHTR6KMT2AHTR1DHTR1A
SCHEMBL3538879 0.82 HTR1B (0.47) HTR1BHTR6HTR1DKDM4EHTR1A
SCHEMBL3529169 0.81 HTR6 (0.43) HTR1BHTR6BCHEKMT2AHTR1A
SCHEMBL3532652 0.81 HTR1B (0.52) HTR1BHTR6HTR1DHTR1ADRD2
SCHEMBL3534202 0.80 TDP1 (0.48) HTR1BHTR6BCHETDP1KMT2A
SCHEMBL3538306 0.79 HTR6 (0.48) HTR1BHTR6BCHETDP1KMT2A
SCHEMBL3531498 0.78 HTR1B (0.48) HTR1BHTR6BCHE
SCHEMBL3529592 0.74 HTR1B (0.44) HTR1BHTR6BCHEHTR1ADRD2

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
US-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 US claimed