SCHEMBL28068056

SCHEMBL28068056

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDE P14735 2/20 0.42
HTR6 P50406 2/20 0.38
TSHR P16473 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
NAMPT P43490 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.34
MEN1 O00255 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
SCHEMBL28068051 0.92 IDE (0.41) IDEHTR6TSHRPIK3C3PDE4A
SCHEMBL28068083 0.89 IDE (0.43) IDEHTR6TSHRPIK3C3PDE4A
SCHEMBL28068045 0.89 HTR6 (0.42) IDEHTR6NAMPTALDH1A1CHRNB4
SCHEMBL19971349 0.84 IDE (0.40) IDEHTR6TSHRPDE4APDE4B
SCHEMBL16619409 0.80 HTR6 (0.44) IDEHTR6PDE4APDE4BPDE4C
SCHEMBL28207563 0.80 IDE (0.42) IDEHTR6
SCHEMBL28068106 0.78 HTR6 (0.39) IDEHTR6TSHRALDH1A1
SCHEMBL16626635 0.78 HTR6 (0.38) IDEHTR6PDE4APDE4BPDE4C
SCHEMBL28068112 0.78 HTR6 (0.46) HTR6CHRNB4CHRNA3
SCHEMBL16618718 0.77 PDE4A (0.43) 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 3 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-B Sulfonylindole derivatives and process for producing the same 株式会社大熊制药 2018-04-10 CN disclosed
CN-105612150-A Sulfonylindole derivatives and process for producing the same DAE WOONG PHARMA 2016-05-25 CN disclosed