SCHEMBL28321746

SCHEMBL28321746

FC(F)(F)c1cccc(/C=C/c2cccc(-c3cnn[nH]3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 1/20 0.49
▸ SCN2A Q99250 2/20 0.46
▸ FBP1 P09467 1/20 0.43
▸ DYRK1A Q13627 1/20 0.42
▸ DYRK2 Q92630 1/20 0.42
▸ DYRK1B Q9Y463 1/20 0.42
▸ P4HB P07237 2/20 0.41
▸ IDO1 P14902 1/20 0.40
▸ NPY5R Q15761 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TTR P02766 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ CISD1 Q9NZ45 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PKM P14618 1/20 0.39

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
SCHEMBL28321726 0.90 NFE2L2 (0.44) NFE2L2SCN2A
SCHEMBL5020244 0.88 SCN2A (0.56) SCN2AIDO1NPY5RPIM1
SCHEMBL28321673 0.80 NFE2L2 (0.51) NFE2L2MAOB
SCHEMBL28876780 0.75 NFE2L2 (0.58) NFE2L2
SCHEMBL28321713 0.74 NFE2L2 (0.48) NFE2L2FBP1DYRK1ADYRK2DYRK1B
SCHEMBL28321767 0.74 IDO1 (0.40) FBP1IDO1NPY5RLMNAMAPT
SCHEMBL28320524 0.74 IDO1 (0.76) NFE2L2FBP1IDO1
SCHEMBL13790316 0.73 NFE2L2 (0.82) NFE2L2FBP1P4HBMAOBMEN1
SCHEMBL16399454 0.72 NFE2L2 (0.43) NFE2L2FBP1DYRK1ADYRK2DYRK1B
SCHEMBL16403185 0.72 NFE2L2 (0.43) NFE2L2FBP1DYRK1ADYRK2DYRK1B

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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