SCHEMBL29988644

SCHEMBL29988644

FC(F)(F)c1cnccc1C=Cc1ccncc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.40
APP P05067 1/20 0.38
ERN1 O75460 1/20 0.36
NFKB1 P19838 1/20 0.36
KIF11 P52732 2/20 0.35
GAA P10253 1/20 0.34
LATS1 O95835 1/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
TNF P01375 1/20 0.33
RAB9A P51151 1/20 0.33
NOD1 Q9Y239 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
AURKA O14965 1/20 0.32
KDR P35968 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL25403009 0.85 NFE2L2 (0.37) NFE2L2ERN1KIF11GAALATS1
SCHEMBL9274800 0.83 ERN1 (0.48) NFE2L2ERN1KIF11GAALATS1
SCHEMBL30800801 0.83 ERN1 (0.48) NFE2L2ERN1KIF11GAALATS1
SCHEMBL11085706 0.83 ERN1 (0.35) NFE2L2ERN1KIF11GAALATS1
SCHEMBL20772453 0.77 KIF11 (0.41) KIF11GAALATS1SLC22A12NPC1
SCHEMBL16446421 0.76 NFE2L2 (0.40) NFE2L2ERN1NFKB1KIF11GAA
SCHEMBL1310289 0.76 KIF11 (0.37) KIF11GAALATS1SLC22A12NPC1
SCHEMBL8766213 0.76 SLC22A12 (0.37) NFE2L2ERN1KIF11GAALATS1
SCHEMBL844273 0.75 ERN1 (0.48) NFE2L2ERN1NFKB1KIF11GAA
SCHEMBL30149259 0.75 ERN1 (0.48) NFE2L2ERN1NFKB1KIF11GAA

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
CN-114870806-B Application of ion hybrid porous material in separation of cyclohexene and cyclohexane and preparation method thereof 浙江大学 2023-04-18 CN disclosed
CN-114870806-A Application of ion hybrid porous material in separation of cyclohexene and cyclohexane and preparation method thereof 浙江大学 2022-08-09 CN disclosed