SCHEMBL6635615

SCHEMBL6635615

CCOC(=O)COc1ncccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1N

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 3/20 0.34
PPOX P50336 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
BCAT2 O15382 2/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
P2RX3 P56373 1/20 0.30
P2RY1 P47900 1/20 0.30
POLB P06746 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ROCK2 O75116 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
SCHEMBL29174337 0.95 PPOX (0.33) BCAT1PPOXKDM4EGLAMEN1
SCHEMBL21307578 0.92 BCAT1 (0.42) BCAT1PPOXKDM4EGLABCAT2
SCHEMBL3243419 0.92 BCAT1 (0.33) BCAT1BCAT2P2RY1ROCK2
SCHEMBL24495933 0.92 BCAT1 (0.34) BCAT1PPOXKDM4EGLABCAT2
SCHEMBL29351496 0.91 PPOX (0.41) BCAT1PPOXKDM4EGLABCAT2
SCHEMBL121222 0.91 PPOX (0.41) BCAT1PPOXKDM4EGLABCAT2
SCHEMBL3248273 0.91 PKM (0.34) BCAT1BCAT2P2RY1ROCK2
SCHEMBL21616077 0.89 PPOX (0.40) BCAT1PPOXKDM4EGLABCAT2
SCHEMBL21307630 0.88 BCAT2 (0.42) BCAT1KDM4EGLABCAT2GRIN1
SCHEMBL6640251 0.88 MAPT (0.34) BCAT1PPOXKDM4EMEN1KMT2A

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-1122244-B1 Uracil compounds and their use SUMITOMO CHEMICAL CO (JP) 2004-09-29 EP disclosed
US-6537948-B1 Have a wide range of herbicidal spectrum, and causes no phytotoxicity on crops SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-25 US disclosed
EP-1122244-A1 Uracil compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-08 EP disclosed