SCHEMBL19971346

SCHEMBL19971346

CNC(=O)OCc1cn(S(=O)(=O)c2cccnc2)c2cc(O)ccc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDE P14735 2/20 0.41
HTR6 P50406 8/20 0.40
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
NAMPT P43490 1/20 0.36
PLK1 P53350 1/20 0.35
ALK Q9UM73 1/20 0.35
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL19971349 0.90 IDE (0.40) IDEHTR6PDE4APDE4BPDE4C
SCHEMBL19971357 0.89 IDE (0.39) IDEHTR6PDE4APDE4BPDE4C
SCHEMBL19971359 0.87 HTR6 (0.42) IDEHTR6CHRNB4CHRNA3MEN1
SCHEMBL19984047 0.85 HTR6 (0.43) IDEHTR6PDE4APDE4BPDE4C
SCHEMBL28068083 0.85 IDE (0.43) IDEHTR6PDE4APDE4BPDE4C
SCHEMBL19971352 0.83 PDE4A (0.42) IDEHTR6PDE4APDE4BPDE4C
SCHEMBL19971356 0.82 IDE (0.37) IDEPDE4APDE4BPDE4CPDE4D
SCHEMBL19971345 0.81 IDE (0.43) IDEHTR6PDE4APDE4BPDE4C
SCHEMBL16619076 0.80 HTR6 (0.47) IDEHTR6PDE4APDE4BPDE4C
SCHEMBL19971347 0.79 POLB (0.37) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052484-B1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAE WOONG PHARMA (KR) 2018-03-21 EP claimed