SCHEMBL3531503

SCHEMBL3531503

CC(N)CCOc1cccc2c(S(=O)(=O)c3ccccc3)nn(C)c12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.36
HTR6 P50406 5/20 0.36
KAT2B Q92831 4/20 0.34
HTR1A P08908 3/20 0.34
HTR7 P34969 3/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR3A P46098 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MCHR1 Q99705 1/20 0.33
MCL1 Q07820 1/20 0.32

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
SCHEMBL3531502 0.85 HASPIN (0.39) ABCB1HTR6ADORA3ADORA2AADORA1
SCHEMBL3535823 0.83 HTR6 (0.50) HTR6HTR3A
SCHEMBL3528627 0.82 TDP1 (0.47) HTR6HTR1AHTR7DRD2HTR2A
SCHEMBL3531498 0.81 HTR1B (0.48) HTR6
SCHEMBL3531571 0.81 HTR6 (0.42) ABCB1HTR6DRD2
SCHEMBL3532575 0.80 TP53 (0.41) HTR6HTR1AHTR7DRD2
SCHEMBL3529159 0.73 HTR1B (0.48) HTR6HTR1AHTR7DRD2HTR2A
SCHEMBL3535014 0.71 HTR6 (0.45) HTR6HTR1AHTR7DRD2HTR2A
SCHEMBL3532009 0.71 TP53 (0.40) HTR6
SCHEMBL3534202 0.70 TDP1 (0.48) HTR6HTR1AHTR7DRD2HTR2A

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