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Sugi Predict / Compounds / SCHEMBL30487654

SCHEMBL30487654

SCHEMBL30487654

C[C@H](N)CCSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHAT P28329 2/20 0.83
▸ NAA50 Q9GZZ1 2/20 0.83
▸ EP300 Q09472 4/20 0.82
▸ KAT5 Q92993 2/20 0.82
▸ AURKA O14965 2/20 0.82
▸ KAT2B Q92831 1/20 0.82
▸ CREBBP Q92793 1/20 0.76
▸ NAA40 Q86UY6 1/20 0.73

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
SCHEMBL29208286 1.00 CHAT (0.83) CHATNAA50EP300KAT5AURKA
SCHEMBL19742108 1.00 CHAT (0.83) CHATNAA50EP300KAT5AURKA
SCHEMBL29208283 1.00 CHAT (0.83) CHATNAA50EP300KAT5AURKA
SCHEMBL23143155 0.96 CHAT (0.84) CHATNAA50EP300KAT5AURKA
SCHEMBL20214922 0.96 CHAT (0.84) CHATNAA50EP300KAT5AURKA
SCHEMBL29790165 0.96 CHAT (0.84) CHATNAA50EP300KAT5AURKA
SCHEMBL23143156 0.96 CHAT (0.84) CHATNAA50EP300KAT5AURKA
SCHEMBL107144 0.96 CHAT (0.84) CHATNAA50EP300KAT5AURKA
SCHEMBL30705431 0.96 CHAT (0.84) CHATNAA50EP300KAT5AURKA
SCHEMBL20214919 0.96 CHAT (0.83) CHATNAA50EP300KAT5AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116390651-A Methods of modulating gastrointestinal metabolites 帝斯曼知识产权资产管理有限公司 2023-07-04 — — CN claimed
CN-116390651-A Methods of modulating gastrointestinal metabolites 帝斯曼知识产权资产管理有限公司 2023-07-04 — — CN disclosed