SCHEMBL28007992

SCHEMBL28007992

CC(C)c1cnc2nc(C(F)(F)F)c(C(=O)O)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ASPH Q12797 1/20 0.36
GFER P55789 1/20 0.36
NFKB1 P19838 7/20 0.34
ATF1 P18846 6/20 0.34
KDM4E B2RXH2 1/20 0.33
DHODH Q02127 1/20 0.33
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
XPO1 O14980 3/20 0.32
JUN P05412 2/20 0.32
NFKB2 Q00653 2/20 0.32
RELA Q04206 2/20 0.32
SORT1 Q99523 1/20 0.32
NOTUM Q6P988 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
SCHEMBL126304 0.82 GFER (0.40) ASPHGFERNFKB1ATF1KDM4E
SCHEMBL28008298 0.81 DHODH (0.36) ASPHGFERNFKB1ATF1KDM4E
SCHEMBL121946 0.80 XPO1 (0.42) ASPHGFERNFKB1ATF1KDM4E
SCHEMBL28007979 0.79 ASPH (0.39) ASPHGFERNFKB1ATF1KDM4E
SCHEMBL127169 0.79 ATF1 (0.43) ASPHGFERNFKB1ATF1XPO1
SCHEMBL28007966 0.79 ASPH (0.39) ASPHGFERNFKB1ATF1KDM4E
SCHEMBL125573 0.76 GFER (0.36) ASPHGFERNFKB1ATF1NR1H2
SCHEMBL28007962 0.74 MAP4K4 (0.42) GFERKDM4EDHODH
SCHEMBL28818253 0.73 PDGFRB (0.43) GFERNFKB1ATF1DHODHXPO1
SCHEMBL28007970 0.72 NFKB1 (0.42) NFKB1ATF1XPO1JUNNFKB2

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