SCHEMBL8914465

SCHEMBL8914465

COc1cc(F)c(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)cc1OC

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 12/20 0.37
BCAT2 O15382 10/20 0.36
GRM4 Q14833 2/20 0.34
CYP1A2 P05177 1/20 0.34
PPOX P50336 1/20 0.33
PRKDC P78527 1/20 0.32
S100B P04271 1/20 0.32
GRM8 O00222 1/20 0.32
GRM7 Q14831 1/20 0.32
BRD9 Q9H8M2 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
SCHEMBL7881673 0.91 CRHR1 (0.34) BCAT1BCAT2GRM4CYP1A2PRKDC
SCHEMBL10576721 0.91 BCAT1 (0.46) BCAT1BCAT2GRM4PPOX
SCHEMBL6703569 0.88 BCAT1 (0.46) BCAT1BCAT2PRKDC
SCHEMBL7881786 0.84 CLK1 (0.34) BCAT1BCAT2GRM4PRKDC
SCHEMBL25095599 0.83 BCAT1 (0.42) BCAT1BCAT2GRM4
SCHEMBL8471125 0.83 BCAT1 (0.47) BCAT1BCAT2GRM4CYP1A2PPOX
SCHEMBL9115133 0.83 SMN1; SMN2 (0.38) BCAT1BCAT2CYP1A2GRM8GRM7
SCHEMBL10577810 0.82 BCAT1 (0.35) BCAT1BCAT2GRM4PPOX
SCHEMBL31580949 0.82 PPOX (0.44) BCAT1BCAT2GRM4PPOX
SCHEMBL10695876 0.82 BCAT1 (0.34) BCAT1BCAT2GRM4BRD9

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
JP-9241245-A None JP disclosed
JP-H09241245-A URACIL DERIVATIVE AND AGROCHEMICAL CONTAINING THE SAME DAINIPPON INK & CHEM INC 1997-09-16 JP disclosed