SCHEMBL25253263

SCHEMBL25253263

CC(=O)OOc1cccc(CC#N)c1Oc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 5/20 0.36
BCAT1 P54687 5/20 0.36
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSPB1 P04792 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
SCHEMBL25259426 0.92 BCAT2 (0.32) BCAT2BCAT1
SCHEMBL25301226 0.89 BCAT2 (0.32) BCAT2BCAT1HSPB1
SCHEMBL25296483 0.88 BCAT2 (0.37) BCAT2BCAT1
SCHEMBL25254745 0.88 BCAT2 (0.38) BCAT2BCAT1
SCHEMBL25252724 0.88 BCAT1 (0.47) BCAT2BCAT1
SCHEMBL7644653 0.85 BCAT1 (0.36) BCAT2BCAT1ALDH1A1HSPB1
SCHEMBL25252270 0.81 MAPT (0.31) ALDH1A1
SCHEMBL25262868 0.81 BCAT2 (0.33) BCAT2BCAT1
SCHEMBL27044965 0.79 BCAT1 (0.35) BCAT2BCAT1ALDH1A1HSPB1
SCHEMBL7644661 0.79 BCAT1 (0.37) BCAT2BCAT1ALDH1A1HSPB1

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