SCHEMBL19655801

SCHEMBL19655801

CCOCC(=O)COc1ncccc1Oc1nc(NC(=O)N(C)/C(=C\C(C)=O)C(F)(F)F)c(F)cc1Cl

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DHODH Q02127 2/20 0.32
SCN9A Q15858 2/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA1A P35348 1/20 0.31
P2RY1 P47900 3/20 0.31
MAPK8 P45983 1/20 0.31
MAPT P10636 1/20 0.30
DGAT2 Q96PD7 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
SCHEMBL19655813 0.92 DHODH (0.33) MEN1KMT2ADHODHSCN9AMAPT
SCHEMBL21038259 0.85 MEN1 (0.33) MEN1KMT2ASCN9AHTR1ADRD2
SCHEMBL19655870 0.80 PPIA (0.35) MEN1KMT2AMAPT
SCHEMBL19827686 0.79 P2RY1 (0.34) MEN1KMT2ADHODHSCN9AP2RY1
SCHEMBL19827988 0.78 P2RY1 (0.35) MEN1KMT2ADHODHSCN9AP2RY1
SCHEMBL19655854 0.76 MAPK8 (0.38) KMT2ASCN9AHTR1ADRD2ADRA1A
SCHEMBL19655859 0.75 MAPK8 (0.37) KMT2ASCN9AHTR1ADRD2ADRA1A
SCHEMBL22789749 0.74 MEN1 (0.41) MEN1KMT2AP2RY1MAPK8MAPT
SCHEMBL19655872 0.73 KMT2A (0.34) MEN1KMT2ADHODHMAPT
SCHEMBL21032604 0.72 MAPT (0.36) MEN1KMT2AHTR1ADRD2ADRA1A

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
WO-2019101533-A1 CRYSTALLINE FORMS OF ETHYL 2-[[3-[[3-CHLORO-5-FLUORO-6-[3-METHYL-2,6-DIOXO-4-(TRIFLUOROMETHYL)PYRIMIDIN-1-YL]-2-PYRIDYL]OXY]-2-PYRIDYL]OXY]ACETATE BASF SE (DE) 2019-05-31 WO disclosed
WO-2017202768-A1 HERBICIDAL URACILPYRID BASF SE (DE) 2017-11-30 WO disclosed