SCHEMBL9050065

SCHEMBL9050065

CCO/C=N/c1cc(-n2nc(C(F)(F)F)n(CC)c2=O)c(F)cc1C#N

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.34
DHODH Q02127 13/20 0.33
MAPK1 P28482 1/20 0.33
AR P10275 1/20 0.31

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
SCHEMBL9050069 1.00 CTSK (0.34) CTSKDHODHMAPK1AR
SCHEMBL9053571 0.84 CTSK (0.41) CTSKDHODHAR
SCHEMBL9054537 0.79 DHODH (0.41) CTSKDHODHAR
SCHEMBL6104442 0.79 CTSK (0.39) CTSKDHODHAR
SCHEMBL9053504 0.79 CTSK (0.39) CTSKDHODHAR
SCHEMBL6504119 0.75 CTSK (0.35) CTSKDHODHAR
SCHEMBL6307788 0.74 CTSK (0.36) CTSKDHODHAR
SCHEMBL6310318 0.74 CTSK (0.36) CTSKDHODHAR
SCHEMBL9055831 0.73 DHODH (0.37) CTSKDHODHAR
SCHEMBL6103445 0.71 DHODH (0.42) CTSKDHODH

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-0746550-A1 SUBSTITUTED TRIAZOLINONES AND THEIR USE AS HERBICIDES BAYER AG (DE) 1996-12-11 EP disclosed
WO-1995022532-A1 SUBSTITUTED TRIAZOLINONES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1995-08-24 WO disclosed