SCHEMBL9050673

SCHEMBL9050673

CC#CCOc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 6/20 0.33
BCAT1 P54687 4/20 0.33
BCAT2 O15382 3/20 0.33
NR1I2 O75469 1/20 0.30
ADRA2A P08913 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
TACR2 P21452 1/20 0.30
DRD1 P21728 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADORA1 P30542 1/20 0.30
SLC6A4 P31645 1/20 0.30
OPRM1 P35372 1/20 0.30
DRD3 P35462 1/20 0.30
OPRK1 P41145 1/20 0.30
HTR6 P50406 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL10576202 0.92 BCAT2 (0.33) PPOXBCAT1BCAT2
SCHEMBL10576135 0.90 BCAT1 (0.37) PPOXBCAT1BCAT2
SCHEMBL8924821 0.90 BCAT1 (0.35) PPOXBCAT1BCAT2
SCHEMBL9049765 0.89 BCAT1 (0.33) PPOXBCAT1BCAT2NR1I2ADRA2A
SCHEMBL10577100 0.88 BCAT1 (0.37) BCAT1BCAT2
SCHEMBL10574921 0.87 PPOX (0.44) PPOXBCAT1BCAT2
SCHEMBL10577873 0.87 PPOX (0.35) PPOXBCAT1BCAT2
SCHEMBL27674223 0.86 PPOX (0.35) PPOXBCAT1BCAT2
SCHEMBL10575833 0.85 PPOX (0.34) PPOXBCAT1BCAT2
SCHEMBL10578008 0.85 PPOX (0.37) PPOXBCAT1BCAT2

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-0476697-B1 Benzofuranyl- and benzothiophenyl substituted uracil derivatives, and their production and use as herbicides SUMITOMO CHEMICAL CO (JP) 1996-03-20 EP disclosed
US-5169431-A Herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-12-08 US disclosed
EP-0476697-A1 Benzofuranyl- and benzothiophenyl substituted uracil derivatives, and their production and use as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-03-25 EP disclosed