SCHEMBL28857516

SCHEMBL28857516

NC(=O)OCCc1cn(S(=O)(=O)c2cccnc2)c2cc(CBr)ccc12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDE P14735 5/20 0.41
HTR6 P50406 14/20 0.38
DRD2 P14416 2/20 0.36
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR1F P30939 1/20 0.33
HTR7 P34969 1/20 0.33
DRD3 P35462 1/20 0.33
FKBP1A P62942 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
SCHEMBL28207563 0.92 IDE (0.42) IDEHTR6DRD2HTR1AHTR1D
SCHEMBL19971345 0.88 IDE (0.43) IDEHTR6DRD2HTR1AHTR1D
SCHEMBL19971398 0.84 PDE4A (0.40) IDEHTR6DRD2
SCHEMBL19971357 0.81 IDE (0.39) IDEHTR6
SCHEMBL28068051 0.80 IDE (0.41) IDEHTR6
SCHEMBL16619302 0.80 HTR6 (0.44) IDEHTR6DRD2HTR1AHTR1D
SCHEMBL28068088 0.77 HTR6 (0.36) IDEHTR6
SCHEMBL16626633 0.77 HTR6 (0.38) IDEHTR6DRD2HTR1AHTR1D
SCHEMBL19971450 0.76 POLB (0.36) IDEHTR6
SCHEMBL4772155 0.74 HTR6 (0.47) HTR6DRD2HTR1AHTR1DHTR1B

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
CN-105612150-B Sulfonylindole derivatives and process for producing the same 株式会社大熊制药 2018-04-10 CN claimed