SCHEMBL6635645

SCHEMBL6635645

Cn1c(C(F)(F)F)cc(=O)n(-c2cc(Oc3ncccc3O)c(Cl)cc2F)c1=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 4/20 0.35
BCAT2 O15382 3/20 0.35
DRD1 P21728 2/20 0.34
GRM4 Q14833 3/20 0.33
MAT2A P31153 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
DHODH Q02127 4/20 0.33
MAPK8 P45983 1/20 0.32
CYP3A4 P08684 2/20 0.32
UGCG Q16739 2/20 0.32
P2RY1 P47900 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
SCHEMBL2736477 0.90 BCAT1 (0.38) BCAT1BCAT2GRM4MAT2ADHODH
SCHEMBL2594502 0.90 BCAT1 (0.41) BCAT1BCAT2DRD1GRM4MAT2A
SCHEMBL6642902 0.90 CYP1A2 (0.34) BCAT1BCAT2DRD1GRM4MAT2A
SCHEMBL6641668 0.88 BCAT1 (0.34) BCAT1BCAT2MAT2AGPBAR1DHODH
SCHEMBL7639795 0.88 BCAT1 (0.35) BCAT1BCAT2MAT2AGPBAR1DHODH
SCHEMBL21615919 0.88 BCAT1 (0.39) BCAT1BCAT2GRM4MAT2ADHODH
SCHEMBL4736723 0.88 BCAT1 (0.39) BCAT1BCAT2GRM4MAT2ADHODH
SCHEMBL1527284 0.87 BCAT1 (0.42) BCAT1BCAT2GRM4DHODH
SCHEMBL6639449 0.87 ALDH1A1 (0.43) BCAT1BCAT2MAT2ACYP3A4
SCHEMBL20334530 0.87 BCAT1 (0.36) BCAT1BCAT2DRD1MAT2AMAPK8

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