SCHEMBL28068112

SCHEMBL28068112

CNCc1cn(S(=O)(=O)c2cccnc2)c2cc(Cc3ccc(OC)cc3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.46
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
DRD2 P14416 3/20 0.39
HTR7 P34969 3/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR1E P28566 1/20 0.39
HTR1F P30939 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2A P28223 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
Hydrochloric Acid SCHEMBL28068041 0.99 HTR6 (0.45) HTR6KEAP1NFE2L2CHRNB4CHRNA3
SCHEMBL16626404 0.91 HTR6 (0.45) HTR6DRD2HTR7HTR1AHTR1D
SCHEMBL28068045 0.90 HTR6 (0.42) HTR6CHRNB4CHRNA3CYP11B1CYP11B2
SCHEMBL17971581 0.90 HTR6 (0.44) HTR6DRD2HTR7HTR1AHTR1D
SCHEMBL16626627 0.90 HTR6 (0.46) HTR6KEAP1NFE2L2CHRNB4CHRNA3
SCHEMBL16626785 0.90 HTR6 (0.44) HTR6CYP11B1CYP11B2DRD2HTR7
Hydrochloric Acid SCHEMBL16618778 0.90 HTR6 (0.44) HTR6DRD2HTR7HTR1AHTR1D
SCHEMBL17971576 0.90 PDE4A (0.42) HTR6
SCHEMBL16626784 0.89 HTR6 (0.42) HTR6CYP11B1CYP11B2
SCHEMBL28829305 0.89 HTR6 (0.43) HTR6KEAP1NFE2L2CHRNB4CHRNA3

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
CN-105612150-A Sulfonylindole derivatives and process for producing the same DAE WOONG PHARMA 2016-05-25 CN disclosed