SCHEMBL22912592

SCHEMBL22912592

CC(=O)CCCSc1ncccc1Sc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IRS1 P35568 1/20 0.30
GAB1 Q13480 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 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
SCHEMBL22912593 0.95 CYP1A2 (0.33) CYP1A2CYP2C19
SCHEMBL26420157 0.86 THRB (0.31)
SCHEMBL22912594 0.84 DHODH (0.30)
SCHEMBL26420158 0.83 THRB (0.33)
SCHEMBL29709264 0.83 MAT2A (0.33)
SCHEMBL28738765 0.83 MAT2A (0.33)
SCHEMBL26420149 0.81
SCHEMBL29709398 0.80 PKM (0.34)
SCHEMBL29911629 0.79 PPOX (0.36) CYP1A2CYP2C19
SCHEMBL29709296 0.79 PPOX (0.36) CYP1A2CYP2C19

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