SCHEMBL28321673

SCHEMBL28321673

Fc1ccc(/C=C/c2cccc(-c3cnn[nH]3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 8/20 0.51
▸ SNCA P37840 1/20 0.40
▸ BCL2L1 Q07817 1/20 0.39
▸ BAD Q92934 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ RELA Q04206 2/20 0.38
▸ CASP3 P42574 2/20 0.37
▸ SENP8 Q96LD8 2/20 0.37
▸ SENP7 Q9BQF6 2/20 0.37
▸ SENP6 Q9GZR1 2/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ HTR2A P28223 1/20 0.36
▸ MAOB P27338 1/20 0.36

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
SCHEMBL28876780 0.85 NFE2L2 (0.58) NFE2L2BCL2L1BADPTGS1HTR2A
SCHEMBL28321726 0.85 NFE2L2 (0.44) NFE2L2HDAC1PTGS1
SCHEMBL28321767 0.82 IDO1 (0.40) CYP19A1
SCHEMBL28321746 0.80 NFE2L2 (0.49) NFE2L2MAOB
SCHEMBL28321690 0.80 NFE2L2 (0.45) NFE2L2PTGS1
SCHEMBL30171029 0.79 IDO1 (0.54) RELAHTR2A
SCHEMBL5020203 0.75 POLB (0.48) —
SCHEMBL28321694 0.75 NQO2 (0.40) NFE2L2PTGS1
SCHEMBL28320616 0.72 IDO1 (0.63) NFE2L2
SCHEMBL28320551 0.72 NFE2L2 (0.50) NFE2L2SNCABCL2L1BADKDM1A

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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