SCHEMBL9541517

SCHEMBL9541517

CC(C)Oc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPOX P50336 6/20 0.44
MEN1 O00255 1/20 0.39
NR1I2 O75469 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX12 P18054 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DHODH Q02127 7/20 0.35
BCAT2 O15382 3/20 0.34
BCAT1 P54687 3/20 0.34

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
SCHEMBL10576117 0.91 PPOX (0.45) PPOXMEN1NR1I2KMT2ATDP1
SCHEMBL10577861 0.91 PPOX (0.36) PPOXDHODHBCAT2BCAT1
SCHEMBL10577492 0.89 PPOX (0.37) PPOXDHODH
SCHEMBL2149762 0.88 PPOX (0.40) PPOXDHODH
SCHEMBL7782676 0.88 PPOX (0.40) PPOXDHODH
SCHEMBL9050670 0.88 PPOX (0.35) PPOXDHODHBCAT2BCAT1
SCHEMBL7719036 0.88 PPOX (0.40) PPOXDHODH
SCHEMBL4572159 0.88 PPOX (0.40) PPOXDHODH
SCHEMBL10579188 0.88 PPOX (0.34) PPOXDHODHBCAT2BCAT1
SCHEMBL7019344 0.88 PPOX (0.43) PPOXMEN1NR1I2KMT2ATDP1

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
EP-0255047-A1 3-Aryl uraciles and their use as herbicides CIBA-GEIGY AG (CH) 1988-02-03 EP claimed
US-7586023-B1 Methods of conferring ppo-inhibiting herbicide resistance to plants by gene manipulation SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-09-08 US disclosed
WO-1993011669-A1 USE OF 3-PHENYLURACIL DERIVATIVES FOR THE DESICCATION AND ABSCISSION OF PLANT PARTS BASF AKTIENGESELLSCHAFT (DE) 1993-06-24 WO disclosed
US-4859229-A HERBICIDES HOFFMANN-LA ROCHE INC. (US) 1989-08-22 US disclosed
EP-0255047-A1 3-Aryl uraciles and their use as herbicides CIBA-GEIGY AG (CH) 1988-02-03 EP disclosed