SCHEMBL9879060

SCHEMBL9879060

NC(=O)c1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(F)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 19/20 0.50
BCAT2 O15382 17/20 0.50
ALDH1A1 P00352 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3321881 0.89 BCAT1 (0.51) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL22720000 0.89 BCAT1 (0.51) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL9423008 0.88 BCAT1 (0.53) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL10532221 0.85 BCAT1 (0.56) BCAT1BCAT2
SCHEMBL25047106 0.83 BCAT1 (0.46) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL5393246 0.83 BCAT1 (0.54) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL9877348 0.82 BCAT1 (0.50) BCAT1BCAT2SMN1; SMN2
SCHEMBL9878950 0.82 BCAT1 (0.47) BCAT1BCAT2ALDH1A1
SCHEMBL30664027 0.82 BCAT1 (0.50) BCAT1BCAT2ALDH1A1
SCHEMBL9581280 0.82 BCAT1 (0.50) BCAT1BCAT2ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111196784-B Aryl uracil compound or agriculturally acceptable salt thereof, preparation method thereof and pesticide composition 深圳大学 2020-11-27 CN disclosed
CN-111196784-A Aryl uracil compound or agriculturally acceptable salt thereof, preparation method thereof and pesticide composition 深圳大学 2020-05-26 CN disclosed
US-5017211-A Herbicides CIBA-GEIGY CORPORATION (US) 1991-05-21 US disclosed
EP-0333791-A1 HETEROCYCLIC COMPOUNDS CIBA-GEIGY AG (CH) 1989-09-27 EP disclosed
WO-1989002891-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1989-04-06 WO disclosed