SCHEMBL9049765

SCHEMBL9049765

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 4/20 0.33
PPOX P50336 4/20 0.33
BCAT2 O15382 3/20 0.33
NR1I2 O75469 1/20 0.32
ADRA2A P08913 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
TACR2 P21452 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADORA1 P30542 1/20 0.32
SLC6A4 P31645 1/20 0.32
OPRM1 P35372 1/20 0.32
DRD3 P35462 1/20 0.32
OPRK1 P41145 1/20 0.32
HTR6 P50406 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL9185830 0.89 BCAT2 (0.35) BCAT1PPOXBCAT2
SCHEMBL9050673 0.89 PPOX (0.33) BCAT1PPOXBCAT2NR1I2ADRA2A
SCHEMBL9183771 0.82 PPOX (0.46) BCAT1PPOXBCAT2HTR2C
SCHEMBL7019344 0.81 PPOX (0.43) BCAT1PPOXBCAT2NR1I2
SCHEMBL10576202 0.81 BCAT2 (0.33) BCAT1PPOXBCAT2
SCHEMBL9049760 0.79 PPOX (0.34) BCAT1PPOXBCAT2NR1I2
SCHEMBL7021120 0.79 LMNA (0.34) BCAT1PPOXBCAT2
SCHEMBL8924821 0.78 BCAT1 (0.35) BCAT1PPOXBCAT2
SCHEMBL10576135 0.78 BCAT1 (0.37) BCAT1PPOXBCAT2
SCHEMBL7018247 0.78 BCAT1 (0.35) BCAT1BCAT2

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-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