SCHEMBL8829573

SCHEMBL8829573

CS(=O)(=O)Nc1cc(-n2nc(C(F)(F)F)n(N)c2=O)c(F)cc1C#N

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.35
KIF11 P52732 1/20 0.32
DHODH Q02127 5/20 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
SCHEMBL6106477 0.90 DHODH (0.40) PPOXKIF11DHODH
SCHEMBL6310318 0.86 CTSK (0.36) PPOXDHODH
SCHEMBL6496551 0.82 TRPV4 (0.36) DHODH
SCHEMBL6308458 0.80 PGR (0.40) DHODH
Potassium SCHEMBL7157685 0.79 PGR (0.39) DHODH
SCHEMBL7157679 0.79 PGR (0.39) DHODH
SCHEMBL6307788 0.78 CTSK (0.36) DHODH
SCHEMBL8925239 0.78 BCAT2 (0.35) KIF11
SCHEMBL7686693 0.76 PPOX (0.62) PPOXDHODH
SCHEMBL6316627 0.76 PPOX (0.40) PPOXDHODH

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663362-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-09-02 US disclosed
EP-0609734-B1 Substituted triazolinones and their use as herbicides BAYER AG (DE) 1997-08-27 EP disclosed
US-5464810-A Herbicides BAYER AKTIENGESELLSCHAFT (DE) 1995-11-07 US disclosed
EP-0609734-A1 Substituted triazolinones and their use as herbicides BAYER AG (DE) 1994-08-10 EP disclosed