SCHEMBL19971347

SCHEMBL19971347

CNC(=O)OCc1cn(S(=O)(=O)c2cccnc2)c2cc(Oc3cc(Cl)ccc3[N+](=O)[O-])ccc12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
MCL1 Q07820 5/20 0.37
BCL2 P10415 4/20 0.37
TDP1 Q9NUW8 1/20 0.36
BCL2L1 Q07817 1/20 0.36
HTR6 P50406 5/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
IDE P14735 1/20 0.33
MAPT P10636 3/20 0.33
GAA P10253 1/20 0.33
MAT2A P31153 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL16626641 0.88 POLB (0.38) POLBMCL1BCL2TDP1BCL2L1
Hydrochloric Acid SCHEMBL16618961 0.88 POLB (0.38) POLBMCL1BCL2TDP1BCL2L1
SCHEMBL19971450 0.85 POLB (0.36) POLBMCL1BCL2TDP1BCL2L1
SCHEMBL16619016 0.85 HTR6 (0.39) POLBMCL1BCL2TDP1BCL2L1
SCHEMBL16619019 0.85 HTR6 (0.39) POLBMCL1BCL2TDP1BCL2L1
SCHEMBL16626642 0.82 HTR6 (0.35) POLBMCL1BCL2TDP1BCL2L1
SCHEMBL16626787 0.79 HTR6 (0.40) HTR6HTTSMN1; SMN2IDEMAPT
SCHEMBL19971346 0.79 IDE (0.41) HTR6PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL16618771 0.78 HTR6 (0.39) HTR6HTTSMN1; SMN2IDEMAPT
SCHEMBL19971359 0.77 HTR6 (0.42) POLBHTR6SMN1; SMN2IDE

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