SCHEMBL28321731

SCHEMBL28321731

FC(F)(F)c1cc(/C=C\c2cccc(-c3c[nH]nn3)c2)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 1/20 0.40
▸ MAOB P27338 3/20 0.36
▸ FBP1 P09467 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PTGS1 P23219 1/20 0.34
▸ DYRK1A Q13627 1/20 0.33
▸ DYRK2 Q92630 1/20 0.33
▸ DYRK1B Q9Y463 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL28321713 0.93 NFE2L2 (0.48) NFE2L2MAOBFBP1IDO1KDM4E
SCHEMBL28320828 0.90 NFE2L2 (0.43) NFE2L2MAOBIDO1KDM4EPTGS1
SCHEMBL28321689 0.81 NFE2L2 (0.41) NFE2L2MAOBFBP1IDO1MAPT
SCHEMBL5612780 0.80 IDO1 (0.54) MAOBIDO1KDM4EMEN1KMT2A
SCHEMBL28320622 0.80 NFE2L2 (0.40) NFE2L2MAOBFBP1IDO1MAPT
SCHEMBL28320551 0.80 NFE2L2 (0.50) NFE2L2PTGS1
SCHEMBL31144931 0.76 IKBKB (0.37) MAOBIDO1
SCHEMBL28321701 0.76 NFE2L2 (0.43) NFE2L2PTGS1
SCHEMBL28320659 0.74 NFE2L2 (0.57) NFE2L2IDO1PTGS1
SCHEMBL4564602 0.74 CDK8 (0.44) MAOBMAPTDYRK1ADYRK2DYRK1B

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-105408325-B cyanotriazole compounds 大塚制药株式会社 2019-10-22 — — CN disclosed
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