Sugi Predict

Sugi Predict / Compounds / SCHEMBL4356277

SCHEMBL4356277

SCHEMBL4356277

CC(=O)SCCNC(=O)CCNC(=O)C(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 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NAA50 Q9GZZ1 2/20 1.00
▸ CHAT P28329 2/20 0.87
▸ EP300 Q09472 3/20 0.86
▸ KAT5 Q92993 2/20 0.86
▸ AURKA O14965 2/20 0.86
▸ KAT2B Q92831 1/20 0.86
▸ CREBBP Q92793 1/20 0.76

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
SCHEMBL29761309 1.00 NAA50 (1.00) NAA50CHATEP300KAT5AURKA
SCHEMBL29518048 1.00 NAA50 (1.00) NAA50CHATEP300KAT5AURKA
SCHEMBL6086 1.00 NAA50 (1.00) NAA50CHATEP300KAT5AURKA
SCHEMBL17656841 1.00 NAA50 (1.00) NAA50CHATEP300KAT5AURKA
SCHEMBL9995362 1.00 NAA50 (1.00) NAA50CHATEP300KAT5AURKA
SCHEMBL31126614 1.00 NAA50 (1.00) NAA50CHATEP300KAT5AURKA
SCHEMBL822955 1.00 NAA50 (1.00) NAA50CHATEP300KAT5AURKA
SCHEMBL19018640 1.00 NAA50 (1.00) NAA50CHATEP300KAT5AURKA
SCHEMBL14593550 1.00 NAA50 (1.00) NAA50CHATEP300KAT5AURKA
SCHEMBL29761307 1.00 NAA50 (1.00) 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
US-20090186358-A1 Pathway Analysis of Cell Culture Phenotypes and Uses Thereof WYETH (US) 2009-07-23 — — US disclosed