SCHEMBL19971473

SCHEMBL19971473

CNCc1cn(S(=O)(=O)c2cccnc2)c2cc(C(=O)O)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
HTR6 P50406 8/20 0.43
IDE P14735 2/20 0.42
NAMPT P43490 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PLK1 P53350 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR1F P30939 1/20 0.36

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
SCHEMBL16618718 0.90 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL19971372 0.87 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL19984047 0.87 HTR6 (0.43) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL16619000 0.85 HTR6 (0.46) HTR6IDEHTR1ADRD2HTR1D
SCHEMBL16619172 0.85 HTR6 (0.46) HTR6IDEHTR1ADRD2HTR1D
SCHEMBL16619142 0.85 HTR6 (0.42) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL16626404 0.84 HTR6 (0.45) HTR6IDENAMPTHTR1ADRD2
Hydrochloric Acid SCHEMBL16618778 0.83 HTR6 (0.44) HTR6IDENAMPTHTR1ADRD2
SCHEMBL16626409 0.83 HTR6 (0.44) HTR6IDEHTR1ADRD2HTR1D
SCHEMBL28207663 0.83 HTR6 (0.58) HTR6IDEPLK1HTR1ADRD2

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