SCHEMBL3455010

SCHEMBL3455010

CCOC(=O)c1nc(-c2ccc(Cl)c(CCF)c2F)nc(N)c1OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 1/20 0.34
TP53 P04637 4/20 0.33
RAB9A P51151 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
DPP4 P27487 2/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 2/20 0.33
HTT P42858 3/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
PRKCZ Q05513 2/20 0.32
XBP1 P17861 1/20 0.32
MAPK1 P28482 1/20 0.32
TLR9 Q9NR96 1/20 0.32
MTOR P42345 1/20 0.32
DHPS P49366 1/20 0.31

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
SCHEMBL3455271 0.88 DHPS (0.35) HSD17B10KDM4EDPP4ALDH1A1DHPS
SCHEMBL1397124 0.88 GRM6 (0.37) GRM6TP53RAB9AHSD17B10KDM4E
SCHEMBL1397097 0.83 GRM6 (0.34) GRM6TP53RAB9AHSD17B10KDM4E
SCHEMBL1397018 0.83 ALDH1A1 (0.36) GRM6TP53RAB9AHSD17B10KDM4E
SCHEMBL679235 0.82 GRM6 (0.37) GRM6TP53RAB9AHSD17B10KDM4E
SCHEMBL1918560 0.80 DPP4 (0.37) HSD17B10KDM4EDPP4ALDH1A1SMN1; SMN2
SCHEMBL3455141 0.80 HTT (0.39) TP53RAB9AHSD17B10KDM4EALDH1A1
SCHEMBL1397168 0.79 PRKCZ (0.41) RAB9AHSD17B10KDM4EDPP4MAPT
SCHEMBL3781927 0.79 DPP4 (0.33) KDM4EDPP4ALDH1A1SMN1; SMN2
SCHEMBL30151443 0.78 KDM4E (0.39) HSD17B10KDM4EALDH1A1SMN1; SMN2DHPS

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
EP-2181098-A1 2-(SUBSTITUTED PHENYL)-6-AMINO-5-ALKOXY, THIOALKOXY AND AMINOALKYL-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 2010-05-05 EP disclosed
WO-2009029735-A1 2-(SUBSTITUTED PHENYL)-6-AMINO-5-ALKOXY, THIOALKOXY AND AMINOALKYL-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2009-03-05 WO disclosed