SCHEMBL8523910

SCHEMBL8523910

Cn1[nH]c(=O)n(-c2cc(NS(C)(=O)=O)c(Cl)cc2F)c1=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.42
BRD4 O60885 1/20 0.35
MAPT P10636 2/20 0.33
TP53 P04637 2/20 0.32
HAVCR2 Q8TDQ0 1/20 0.32
TSHR P16473 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
EGLN1 Q9GZT9 1/20 0.30
TAS2R14 Q9NYV8 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL9081076 0.77 PPOX (0.42) PPOXBRD4MAPTTP53HAVCR2
SCHEMBL7918650 0.77 PPOX (0.44) PPOXBRD4MAPTTP53TSHR
SCHEMBL8562649 0.75 PPOX (0.45) PPOXBRD4MAPTTP53TSHR
SCHEMBL5361878 0.74 PPOX (0.40) PPOXBRD4MAPTTP53GAA
SCHEMBL10414302 0.74 PPOX (0.46) PPOXBRD4MAPTTP53EGLN1
SCHEMBL8603631 0.73 PPOX (0.45) PPOXBRD4MAPTHAVCR2EGLN1
SCHEMBL6829642 0.71 BRD4 (0.34) BRD4
SCHEMBL8462175 0.71 PPOX (0.39) PPOX
SCHEMBL9710609 0.71 PPOX (0.50) PPOX
SCHEMBL4677562 0.68 PPOX (0.43) PPOXEGLN1POLB

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
WO-1999005125-A1 SUBSTITUTED N-ARYL-N-THIOXOCARBONYL SULFONAMIDES AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-02-04 WO disclosed