SCHEMBL28008298

SCHEMBL28008298

CC(C)Cc1cnc2nc(C(F)(F)F)c(C(=O)O)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.36
GFER P55789 1/20 0.36
ASPH Q12797 2/20 0.34
KDM4E B2RXH2 2/20 0.34
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
ABL1 P00519 1/20 0.33
ATF1 P18846 4/20 0.32
NFKB1 P19838 4/20 0.32
IKBKE Q14164 1/20 0.32
TBK1 Q9UHD2 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
CNR2 P34972 1/20 0.32
FBP1 P09467 1/20 0.32
PPARD Q03181 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
RIOX2 Q8IUF8 1/20 0.31
KDM8 Q8N371 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
SCHEMBL28007992 0.81 ASPH (0.36) DHODHGFERASPHKDM4EATF1
SCHEMBL126304 0.79 GFER (0.40) GFERASPHKDM4EATF1NFKB1
SCHEMBL125200 0.78 GFER (0.36) DHODHGFERAKR1C2AKR1C1NR1H2
SCHEMBL121946 0.77 XPO1 (0.42) DHODHGFERASPHKDM4EATF1
SCHEMBL28007979 0.76 ASPH (0.39) GFERASPHKDM4EATF1NFKB1
SCHEMBL28007966 0.76 ASPH (0.39) GFERASPHKDM4EATF1NFKB1
SCHEMBL127169 0.76 ATF1 (0.43) GFERASPHATF1NFKB1CNR2
SCHEMBL28818253 0.72 PDGFRB (0.43) DHODHGFERATF1NFKB1CNR2
SCHEMBL10734028 0.72 KDM4E (0.36) DHODHASPHKDM4EAKR1C2AKR1C1
SCHEMBL28007970 0.71 NFKB1 (0.42) ABL1ATF1NFKB1CNR2

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
CN-102006777-B Herbicidal compounds SYNGENTA LTD 2015-04-01 CN disclosed