SCHEMBL25254745

SCHEMBL25254745

CC(=O)OOc1cccc(CC#N)c1Oc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 9/20 0.38
BCAT1 P54687 9/20 0.38
DHODH Q02127 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
SCHEMBL25296483 0.91 BCAT2 (0.37) BCAT2BCAT1
SCHEMBL25252724 0.91 BCAT1 (0.47) BCAT2BCAT1
SCHEMBL25253263 0.88 BCAT2 (0.36) BCAT2BCAT1
SCHEMBL25291361 0.88 BCAT2 (0.34) BCAT2BCAT1DHODH
SCHEMBL25259426 0.86 BCAT2 (0.32) BCAT2BCAT1
SCHEMBL25262868 0.86 BCAT2 (0.33) BCAT2BCAT1
SCHEMBL25260206 0.86 BCAT2 (0.38) BCAT2BCAT1DHODH
SCHEMBL25261040 0.85 BCAT2 (0.36) BCAT2BCAT1DHODH
SCHEMBL3248252 0.84 BCAT1 (0.39) BCAT2BCAT1DHODH
SCHEMBL25295763 0.83 BCAT2 (0.34) BCAT2BCAT1DHODH

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-4200282-A1 SUBSTITUTED N-PHENYLURACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2023-06-28 EP disclosed
WO-2022043205-A1 SUBSTITUTED N-PHENYLURACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2022-03-03 WO disclosed