SCHEMBL3531502

SCHEMBL3531502

Cn1nc(S(=O)(=O)c2ccccc2)c2cccc(OCCCCN)c21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 2/20 0.39
HTR1B P28222 2/20 0.39
HTR6 P50406 6/20 0.39
F2 P00734 3/20 0.39
ABCB1 P08183 2/20 0.38
SSTR2 P30874 1/20 0.37
SSTR4 P31391 1/20 0.37
KCNA3 P22001 1/20 0.35
DYRK2 Q92630 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL3531503 0.85 ABCB1 (0.36) HTR6ABCB1ADORA3ADORA2AADORA1
SCHEMBL3535823 0.84 HTR6 (0.50) HTR1BHTR6TDP1
SCHEMBL3528627 0.83 TDP1 (0.47) HTR6TDP1
SCHEMBL3531571 0.83 HTR6 (0.42) HTR1BHTR6ABCB1
SCHEMBL3531498 0.83 HTR1B (0.48) HTR1BHTR6
SCHEMBL3529159 0.79 HTR1B (0.48) HTR1BHTR6
SCHEMBL3532573 0.78 MAPT (0.41) HTR6
SCHEMBL3532007 0.78 MAPT (0.40) HTR6F2
SCHEMBL3539703 0.75 MAPT (0.41) HTR1BHTR6
SCHEMBL3535014 0.72 HTR6 (0.45) HTR1BHTR6

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