SCHEMBL28320524

SCHEMBL28320524

FC(F)(F)c1cccc(/C=C/c2cccc(-c3cn[nH]n3)c2)c1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 10/20 0.76
▸ NOTUM Q6P988 2/20 0.50
▸ MRGPRX4 Q96LA9 1/20 0.50
▸ METAP2 P50579 6/20 0.49
▸ NFE2L2 Q16236 1/20 0.48
▸ KEAP1 Q14145 1/20 0.45
▸ FBP1 P09467 1/20 0.43

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
SCHEMBL28321725 0.91 IDO1 (0.66) IDO1NOTUMMRGPRX4METAP2NFE2L2
SCHEMBL28320616 0.81 IDO1 (0.63) IDO1NOTUMMETAP2NFE2L2KEAP1
SCHEMBL28321713 0.76 NFE2L2 (0.48) IDO1NFE2L2FBP1
SCHEMBL28321737 0.75 IDO1 (0.59) IDO1METAP2NFE2L2KEAP1
SCHEMBL28321674 0.75 IDO1 (0.66) IDO1METAP2KEAP1
SCHEMBL28321746 0.74 NFE2L2 (0.49) IDO1NFE2L2FBP1
SCHEMBL13790316 0.72 NFE2L2 (0.82) NFE2L2FBP1
SCHEMBL16399536 0.72 ERBB2 (0.50) IDO1NFE2L2FBP1
SCHEMBL17969159 0.72 ERBB2 (0.50) IDO1NFE2L2FBP1
SCHEMBL28321705 0.72 IDO1 (0.48) IDO1NOTUMNFE2L2

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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