SCHEMBL28573435

SCHEMBL28573435

[N-]=[N+]=NCc1ccccc1N[SH](=O)=O

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 2/20 0.39
▸ MYC P01106 1/20 0.33
▸ MCL1 Q07820 1/20 0.31

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
SCHEMBL17146944 0.81 KAT2B (0.39) KAT2BMYC
SCHEMBL28576932 0.77 KAT2B (0.39) KAT2BMYCMCL1
SCHEMBL28945859 0.75 KAT2B (0.41) KAT2B
SCHEMBL28312340 0.75 KAT2B (0.47) KAT2BMYCMCL1
SCHEMBL28379052 0.71 L3MBTL1 (0.35) —
SCHEMBL17553821 0.71 KAT2B (0.45) KAT2BMYCMCL1
SCHEMBL16899960 0.70 ADRA2C (0.42) —
SCHEMBL29111182 0.70 F2R (0.32) —
SCHEMBL31527659 0.69 ALDH1A1 (0.46) —
SCHEMBL28571084 0.69 HDAC8 (0.40) —

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115636817-A Isatin derivative containing triazole ring and preparation method and application thereof 山东大学 2023-01-24 — — CN claimed
CN-115636817-A Isatin derivative containing triazole ring and preparation method and application thereof 山东大学 2023-01-24 — — CN disclosed
CN-109705095-B Fused ring p-benzoquinone CDC25 protein phosphatase inhibitor containing triazole ring, and preparation method and application thereof 山东大学 2021-06-08 — — CN disclosed
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