SCHEMBL28321689

SCHEMBL28321689

FC(F)(F)c1cccc(/C=C/c2cc(-c3c[nH]nn3)ccc2C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.39
▸ MAOB P27338 2/20 0.37
▸ FBP1 P09467 1/20 0.37
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ IDO1 P14902 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ DYRK2 Q92630 1/20 0.34
▸ DYRK1B Q9Y463 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ P4HB P07237 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PKM P14618 1/20 0.34

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
SCHEMBL28320622 0.88 NFE2L2 (0.40) NFE2L2TRPV1MAOBFBP1CHRNB2
SCHEMBL28321713 0.87 NFE2L2 (0.48) NFE2L2MAOBFBP1CHRNB2CHRNB4
SCHEMBL28321731 0.81 NFE2L2 (0.40) NFE2L2MAOBFBP1CHRNB2CHRNB4
SCHEMBL28320828 0.78 NFE2L2 (0.43) NFE2L2TRPV1MAOBCHRNB2CHRNB4
SCHEMBL5612780 0.77 IDO1 (0.54) MAOBIDO1MEN1KMT2A
SCHEMBL17969165 0.75 NFE2L2 (0.38) NFE2L2TRPV1MAOBFBP1CHRNB2
SCHEMBL16399067 0.75 NFE2L2 (0.38) NFE2L2TRPV1MAOBFBP1CHRNB2
SCHEMBL21776857 0.73 NOTUM (0.53) —
SCHEMBL28320535 0.73 NFE2L2 (0.41) NFE2L2MAOBFBP1CHRNB2CHRNB4
SCHEMBL16403019 0.72 MAOB (0.55) NFE2L2MAOBFBP1CHRNB2CHRNB4

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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