SCHEMBL2933622

SCHEMBL2933622

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)CCCO

nearest known ligand 0.88

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NAA50 Q9GZZ1 2/20 0.87
▸ CHAT P28329 2/20 0.83
▸ EP300 Q09472 3/20 0.82
▸ KAT5 Q92993 2/20 0.82
▸ AURKA O14965 2/20 0.82
▸ KAT2B Q92831 1/20 0.82
▸ CREBBP Q92793 1/20 0.73
▸ NAA40 Q86UY6 1/20 0.72

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
SCHEMBL18925864 1.00 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL19554420 1.00 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL59555 1.00 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL28659513 0.98 NAA50 (0.86) NAA50CHATEP300KAT5AURKA
SCHEMBL15693003 0.98 NAA50 (0.86) NAA50CHATEP300KAT5AURKA
SCHEMBL30932695 0.98 NAA50 (0.86) NAA50CHATEP300KAT5AURKA
SCHEMBL2483741 0.98 NAA50 (0.86) NAA50CHATEP300KAT5AURKA
SCHEMBL17279149 0.98 NAA50 (0.86) NAA50CHATEP300KAT5AURKA
SCHEMBL15263879 0.98 NAA50 (0.92) NAA50CHATEP300KAT5AURKA
SCHEMBL6008385 0.98 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140004597-A1 SYNTHETIC PATHWAYS FOR BIOFUEL SYNTHESIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-01-02 — — 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
Send feedback