SCHEMBL9053571

SCHEMBL9053571

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

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.41
AR P10275 1/20 0.37
DHODH Q02127 15/20 0.35
TRPV4 Q9HBA0 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
SCHEMBL9053504 0.90 CTSK (0.39) CTSKARDHODH
SCHEMBL6104442 0.90 CTSK (0.39) CTSKARDHODH
SCHEMBL9054537 0.88 DHODH (0.41) CTSKARDHODH
SCHEMBL6103445 0.85 DHODH (0.42) CTSKDHODHTRPV4
SCHEMBL6307788 0.84 CTSK (0.36) CTSKARDHODH
SCHEMBL6310318 0.84 CTSK (0.36) CTSKARDHODH
SCHEMBL9050065 0.84 CTSK (0.34) CTSKARDHODH
SCHEMBL9050069 0.84 CTSK (0.34) CTSKARDHODH
SCHEMBL9055831 0.83 DHODH (0.37) CTSKARDHODH
SCHEMBL6504119 0.83 CTSK (0.35) CTSKARDHODH

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