SCHEMBL28068083

SCHEMBL28068083

COC(=O)NCc1cn(S(=O)(=O)c2cccnc2)c2cc(O)ccc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDE P14735 4/20 0.43
HTR6 P50406 5/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.38
TSHR P16473 1/20 0.37
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
NAMPT P43490 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
S1PR3 Q99500 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL28068056 0.89 IDE (0.42) IDEHTR6PDE4APDE4BPDE4C
SCHEMBL28068051 0.88 IDE (0.41) IDEHTR6PDE4APDE4BPDE4C
SCHEMBL19984047 0.87 HTR6 (0.43) IDEHTR6PDE4APDE4BPDE4C
SCHEMBL28068045 0.85 HTR6 (0.42) IDEHTR6CHRNB4CHRNA3NAMPT
SCHEMBL19971346 0.85 IDE (0.41) IDEHTR6PDE4APDE4BPDE4C
SCHEMBL16619076 0.80 HTR6 (0.47) IDEHTR6PDE4APDE4BPDE4C
SCHEMBL19971345 0.79 IDE (0.43) IDEHTR6PDE4APDE4BPDE4C
SCHEMBL16618718 0.79 PDE4A (0.43) IDEHTR6PDE4APDE4BPDE4C
SCHEMBL16626645 0.77 HTR6 (0.41) IDEHTR6PDE4APDE4BPDE4C
SCHEMBL19971473 0.77 PDE4A (0.44) IDEHTR6PDE4APDE4BPDE4C

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