SCHEMBL2510648

SCHEMBL2510648

CCCCCCCCCC(=O)CC(=O)SCCNC(=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(O)[C@H]1OP(=O)(O)O

nearest known ligand 0.89

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NAA50 Q9GZZ1 2/20 0.83
▸ EP300 Q09472 3/20 0.80
▸ CHAT P28329 2/20 0.80
▸ AURKA O14965 2/20 0.80
▸ KAT5 Q92993 2/20 0.80
▸ KAT2B Q92831 1/20 0.80
▸ CREBBP Q92793 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
SCHEMBL2506879 1.00 NAA50 (0.83) NAA50EP300CHATAURKAKAT5
SCHEMBL1333343 1.00 NAA50 (0.83) NAA50EP300CHATAURKAKAT5
SCHEMBL31475488 1.00 NAA50 (0.83) NAA50EP300CHATAURKAKAT5
SCHEMBL2317294 1.00 NAA50 (0.83) NAA50EP300CHATAURKAKAT5
SCHEMBL380634 1.00 NAA50 (0.83) NAA50EP300CHATAURKAKAT5
SCHEMBL380100 1.00 NAA50 (0.83) NAA50EP300CHATAURKAKAT5
SCHEMBL25273107 1.00 NAA50 (0.83) NAA50EP300CHATAURKAKAT5
SCHEMBL1332729 1.00 NAA50 (0.83) NAA50EP300CHATAURKAKAT5
SCHEMBL11026148 1.00 NAA50 (0.83) NAA50EP300CHATAURKAKAT5
SCHEMBL30558687 0.99 NAA50 (0.84) NAA50EP300CHATAURKAKAT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140309186-A1 Metabolomics-Based Identification of Disease-Causing Agents GEORGIA TECH RESEARCH CORPORATION 2014-10-16 — — US disclosed
US-20120191434-A1 ARTICLES OF MANUFACTURE AND METHODS FOR MODELING CHINESE HAMSTER OVARY (CHO) CELL METABOLISM GT LIFE SCIENCES, INC. (US) 2012-07-26 — — US disclosed
US-20110246081-A1 Metabolomics-Based Identification of Disease-Causing Agents GEORGIA TECH RESEARCH CORPORATION (US) 2011-10-06 — — US disclosed
EP-2230312-A1 Probe compound for detecting and isolating enzymes and means and methods using the same Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-22 — — EP 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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