SCHEMBL9054537

SCHEMBL9054537

CCn1c(C(F)(F)F)nn(-c2cc(OC)c(C#N)cc2F)c1=O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 15/20 0.41
CTSK P43235 1/20 0.38
BCAT2 O15382 3/20 0.36
BCAT1 P54687 3/20 0.36
AR P10275 1/20 0.36

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
SCHEMBL9053571 0.88 CTSK (0.41) DHODHCTSKAR
SCHEMBL6504729 0.87 DHODH (0.45) DHODHBCAT2BCAT1
SCHEMBL6104442 0.85 CTSK (0.39) DHODHCTSKAR
SCHEMBL9053504 0.85 CTSK (0.39) DHODHCTSKAR
SCHEMBL6307788 0.80 CTSK (0.36) DHODHCTSKAR
SCHEMBL6310318 0.80 CTSK (0.36) DHODHCTSKAR
SCHEMBL9050069 0.79 CTSK (0.34) DHODHCTSKAR
SCHEMBL9050065 0.79 CTSK (0.34) DHODHCTSKAR
SCHEMBL6504119 0.78 CTSK (0.35) DHODHCTSKAR
SCHEMBL9055831 0.78 DHODH (0.37) DHODHCTSKAR

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