SCHEMBL19655854

SCHEMBL19655854

CCOCC(=O)COc1ncccc1Oc1nc(C)c(F)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
P2RY1 P47900 1/20 0.36
CARM1 Q86X55 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
PDE10A Q9Y233 1/20 0.34
HTR1A P08908 2/20 0.34
DRD2 P14416 1/20 0.34
ADRA1A P35348 1/20 0.34
SCN9A Q15858 2/20 0.33
MAPT P10636 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
TSHR P16473 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL19655859 0.89 MAPK8 (0.37) MAPK8L3MBTL1ALDH1A1KMT2AATM
SCHEMBL21039333 0.88 MAPT (0.40) MAPK8L3MBTL1ALDH1A1KMT2AATM
SCHEMBL21038603 0.86 MAPK8 (0.41) MAPK8L3MBTL1ALDH1A1KMT2AATM
SCHEMBL21032717 0.83 ALDH1A1 (0.39) MAPK8L3MBTL1ALDH1A1KMT2AATM
SCHEMBL19641826 0.78 MAPT (0.39) MAPK8L3MBTL1ALDH1A1KMT2AATM
SCHEMBL23616611 0.77 DHODH (0.32) MAPK8KMT2ASCN9A
SCHEMBL21038259 0.77 MEN1 (0.33) MAPK8KMT2AP2RY1PDE10AHTR1A
SCHEMBL19655801 0.76 MEN1 (0.32) MAPK8KMT2AP2RY1HTR1ADRD2
SCHEMBL21033104 0.75 TSHR (0.45) ALDH1A1KMT2ANPC1LMNAMAPT
SCHEMBL21038249 0.74 MAPK8 (0.40) MAPK8L3MBTL1ALDH1A1KMT2AATM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017202768-A1 HERBICIDAL URACILPYRID BASF SE (DE) 2017-11-30 WO disclosed