SCHEMBL22912593

SCHEMBL22912593

Cn1c(C(F)(F)F)cc(=O)n(-c2cc(Sc3cccnc3SCCCC(N)=O)c(Cl)cc2F)c1=O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL22912592 0.95 IRS1 (0.30) CYP1A2CYP2C19
SCHEMBL22912594 0.82 DHODH (0.30)
SCHEMBL29709264 0.82 MAT2A (0.33)
SCHEMBL28738765 0.82 MAT2A (0.33)
SCHEMBL26420157 0.80 THRB (0.31)
SCHEMBL29709398 0.80 PKM (0.34)
SCHEMBL22912564 0.79 DHODH (0.31)
SCHEMBL29709296 0.79 PPOX (0.36) CYP1A2CYP2C19
SCHEMBL29911629 0.79 PPOX (0.36) CYP1A2CYP2C19
SCHEMBL22519872 0.79 ALDH1A1 (0.32)

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