SCHEMBL29190282

SCHEMBL29190282

CC(=O)OCCOc1nc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.31
ADORA2B P29275 2/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL29435264 0.86 KAT2B (0.36) DHODH
SCHEMBL7594681 0.85 HRH4 (0.36)
SCHEMBL28991747 0.84 PPOX (0.40) DHODHADORA2BPKM
SCHEMBL7837825 0.82 HTT (0.33) HTT
SCHEMBL7657743 0.82 AGPAT2 (0.32)
SCHEMBL10573646 0.81 PPOX (0.36) DHODH
SCHEMBL31426399 0.80 SCN9A (0.33)
SCHEMBL7594678 0.79
SCHEMBL7607651 0.78 GAA (0.37) HTT
SCHEMBL29435276 0.78 PKM (0.36) PKM

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
CN-117545355-A Herbicidal composition 先正达农作物保护股份公司 2024-02-09 CN claimed
CN-117545355-A Herbicidal composition 先正达农作物保护股份公司 2024-02-09 CN disclosed