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SCHEMBL21874948

SCHEMBL21874948

CC(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)[C@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCO

nearest known ligand 0.89

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NAA50 Q9GZZ1 2/20 0.85
▸ CHAT P28329 2/20 0.82
▸ EP300 Q09472 3/20 0.80
▸ KAT5 Q92993 2/20 0.80
▸ AURKA O14965 2/20 0.80
▸ KAT2B Q92831 1/20 0.80
▸ CREBBP Q92793 1/20 0.72
▸ NAA40 Q86UY6 1/20 0.70

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
SCHEMBL416543 1.00 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
SCHEMBL15018707 1.00 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
SCHEMBL28813886 1.00 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
SCHEMBL27900338 0.97 NAA50 (0.81) NAA50CHATEP300KAT5AURKA
SCHEMBL29806102 0.97 NAA50 (0.84) NAA50CHATEP300KAT5AURKA
SCHEMBL21314167 0.97 NAA50 (0.84) NAA50CHATEP300KAT5AURKA
SCHEMBL18925866 0.97 NAA50 (0.84) NAA50CHATEP300KAT5AURKA
SCHEMBL14918771 0.97 NAA50 (0.84) NAA50CHATEP300KAT5AURKA
SCHEMBL18838134 0.97 NAA50 (0.84) NAA50CHATEP300KAT5AURKA
SCHEMBL16585582 0.96 NAA50 (0.84) NAA50CHATEP300KAT5AURKA

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
EP-2791342-B1 MODIFIED MICROORGANISMS AND METHODS OF MAKING BUTADIENE USING SAME BRASKEM SA (BR) 2020-04-29 — — EP disclosed
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