SCHEMBL28312433

SCHEMBL28312433

COc1ccc(S(=O)(=O)c2cccc(N3CCNCC3)c2C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.57
HTR1A P08908 3/20 0.47
HTR7 P34969 2/20 0.47
HTR3A P46098 2/20 0.44
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
ADRB1 P08588 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2B P41595 1/20 0.42

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
SCHEMBL30394603 1.00 HTR6 (0.57) HTR6HTR1AHTR7HTR3AHTR3E
SCHEMBL30394843 0.89 HTR6 (0.56) HTR6HTR1AHTR7HTR3AHTR3E
SCHEMBL28311445 0.89 HTR6 (0.56) HTR6HTR1AHTR7HTR3AHTR3E
SCHEMBL30395039 0.87 HTR6 (0.55) HTR6HTR1AHTR3AADRB1HTR2B
SCHEMBL28311526 0.87 HTR6 (0.55) HTR6HTR1AHTR3AADRB1HTR2B
SCHEMBL30394204 0.86 HTR6 (0.56) HTR6HTR1AHTR7
SCHEMBL28312401 0.86 HTR6 (0.56) HTR6HTR1AHTR7
SCHEMBL30394401 0.86 HTR6 (0.71) HTR6HTR1AHTR7
SCHEMBL28311460 0.86 HTR6 (0.71) HTR6HTR1AHTR7
SCHEMBL30394396 0.85 HTR6 (0.55) HTR6ADRB1MAPT

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
CN-110117264-B Phenyl sulfone derivative and application thereof in medicines 广东东阳光药业有限公司 2023-06-09 CN disclosed
CN-110117264-A Phenyl sulfone derivative and its application on drug 广东东阳光药业有限公司 2019-08-13 CN disclosed