SCHEMBL7644653

SCHEMBL7644653

CC(=O)OOc1ccccc1Oc1cc(-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 17)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 5/20 0.36
MAPT P10636 7/20 0.34
LMNA P02545 3/20 0.34
BCAT2 O15382 3/20 0.34
HSPB1 P04792 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 2/20 0.31
CCR6 P51684 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
MASP2 O00187 1/20 0.31
F2 P00734 1/20 0.31
ENPP2 Q13822 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
SCHEMBL7644661 0.91 BCAT1 (0.37) BCAT1MAPTLMNABCAT2HSPB1
SCHEMBL27044946 0.87 ALDH1A1 (0.37) BCAT1MAPTLMNABCAT2HSPB1
SCHEMBL27044950 0.87 BCAT1 (0.35) BCAT1MAPTLMNABCAT2HSPB1
SCHEMBL29005880 0.86 BCAT1 (0.38) BCAT1BCAT2
SCHEMBL3248252 0.86 BCAT1 (0.39) BCAT1BCAT2
SCHEMBL3248247 0.86 ALDH1A1 (0.37) BCAT1MAPTLMNABCAT2TDP1
SCHEMBL27047457 0.85 BCAT1 (0.35) BCAT1MAPTLMNABCAT2HSPB1
SCHEMBL25253263 0.85 BCAT2 (0.36) BCAT1BCAT2HSPB1ALDH1A1
SCHEMBL25301226 0.85 BCAT2 (0.32) BCAT1BCAT2HSPB1
SCHEMBL27044956 0.85 BCAT1 (0.34) BCAT1MAPTLMNABCAT2HSPB1

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 3 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
CN-115996638-A Substituted N-phenyluracils and salts thereof and their use as herbicidal agents 拜耳股份有限公司 2023-04-21 CN disclosed
WO-2002098227-A1 PLANT GROWTH REGULATORS FOR COTTON HERVEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-12 WO disclosed