SCHEMBL2512256

SCHEMBL2512256

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)CCCCCCCO

nearest known ligand 0.87

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
SCHEMBL6006403 1.00 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
SCHEMBL6008510 1.00 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
SCHEMBL2510180 1.00 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
SCHEMBL6006469 1.00 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
SCHEMBL17183598 1.00 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
SCHEMBL6006360 1.00 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
SCHEMBL6008385 1.00 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
SCHEMBL21530730 1.00 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
SCHEMBL21314173 1.00 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
SCHEMBL2506889 1.00 NAA50 (0.85) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220142948-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC REGULATORS OF T CELL PATHOGENICITY MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2022-05-12 — — US disclosed
US-20140309186-A1 Metabolomics-Based Identification of Disease-Causing Agents GEORGIA TECH RESEARCH CORPORATION 2014-10-16 — — US disclosed
US-20110246081-A1 Metabolomics-Based Identification of Disease-Causing Agents GEORGIA TECH RESEARCH CORPORATION (US) 2011-10-06 — — US disclosed
WO-2009052186-A1 METABOLOMICS-BASED IDENTIFICATION OF DISEASE-CAUSING AGENTS GEORGIA TECH RESEARCH CORPORATION (US) 2009-04-23 — — WO disclosed
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