SCHEMBL22912499

SCHEMBL22912499

Cn1c(C(F)(F)F)cc(=O)n(-c2cc(Oc3cccnc3OCCCC(N)=O)c(Cl)cc2F)c1=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.34
BCAT1 P54687 3/20 0.34
BCAT2 O15382 2/20 0.34
MAPK8 P45983 1/20 0.34
CYP3A4 P08684 4/20 0.34
UGCG Q16739 4/20 0.34
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA1A P35348 1/20 0.33
GPBAR1 Q8TDU6 1/20 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
SCHEMBL22912498 0.94 MAPK8 (0.35) ROCK2BCAT1BCAT2MAPK8CYP3A4
SCHEMBL4572166 0.90 UGCG (0.36) ROCK2BCAT1BCAT2MAPK8CYP3A4
SCHEMBL26113051 0.89 BCAT1 (0.34) ROCK2BCAT1BCAT2MAPK8CYP3A4
SCHEMBL29709277 0.88 BCAT1 (0.34) BCAT1BCAT2MAPK8CYP3A4UGCG
Benzene SCHEMBL21843346 0.88 BCAT1 (0.34) BCAT1BCAT2MAPK8CYP3A4UGCG
SCHEMBL1959750 0.88 BCAT1 (0.34) BCAT1BCAT2MAPK8CYP3A4UGCG
SCHEMBL27007219 0.88 BCAT1 (0.33) BCAT1BCAT2MAPK8CYP3A4UGCG
SCHEMBL20334530 0.88 BCAT1 (0.36) BCAT1BCAT2MAPK8CYP3A4UGCG
SCHEMBL2594502 0.87 BCAT1 (0.41) BCAT1BCAT2MAPK8CYP3A4UGCG
SCHEMBL3825548 0.87 MAPK8 (0.35) ROCK2BCAT1BCAT2MAPK8CYP3A4

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-2021013799-A1 SUBSTITUTED N-PHENYL URACILS, SALTS THEREOF AND THEIR USE AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2021-01-28 WO disclosed