SCHEMBL28068082

SCHEMBL28068082

COC(=O)NCc1cn(S(=O)(=O)c2cccc(OC(F)F)c2)c2cc(-c3cccnc3C(F)(F)F)ccc12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.49
BRD4 O60885 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
DGAT2 Q96PD7 3/20 0.36
SCN9A Q15858 1/20 0.36
MET P08581 1/20 0.35
METAP2 P50579 2/20 0.34
HTR6 P50406 1/20 0.34
PIK3C3 Q8NEB9 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
SCHEMBL16626632 0.91 RORC (0.49) RORCBRD4PDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL16619315 0.90 RORC (0.49) RORCBRD4PDE4APDE4BPDE4C
SCHEMBL19971362 0.88 RORC (0.48) RORCBRD4PDE4APDE4BPDE4C
SCHEMBL16618918 0.85 RORC (0.51) RORCBRD4PDE4APDE4BPDE4C
SCHEMBL16626638 0.83 RORC (0.47) RORCBRD4PDE4APDE4BPDE4C
SCHEMBL17971568 0.76 METAP2 (0.41) RORCPDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL16618831 0.75 METAP2 (0.41) RORCSCN9AMETAP2HTR6
SCHEMBL17971573 0.75 RORC (0.51) RORCBRD4HTR6
Hydrochloric Acid SCHEMBL16619011 0.74 RORC (0.50) RORCBRD4HTR6
SCHEMBL16626780 0.74 RORC (0.48) RORCBRD4SCN9AMETHTR6

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
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