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SCHEMBL4358381

SCHEMBL4358381

CCCC(=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 0.89

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NAA50 Q9GZZ1 2/20 0.88
▸ CHAT P28329 2/20 0.84
▸ EP300 Q09472 3/20 0.83
▸ KAT5 Q92993 2/20 0.83
▸ AURKA O14965 2/20 0.83
▸ KAT2B Q92831 1/20 0.83
▸ CREBBP Q92793 1/20 0.74

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
SCHEMBL4367366 1.00 NAA50 (0.88) NAA50CHATEP300KAT5AURKA
SCHEMBL60439 1.00 NAA50 (0.88) NAA50CHATEP300KAT5AURKA
SCHEMBL29425568 1.00 NAA50 (0.88) NAA50CHATEP300KAT5AURKA
SCHEMBL22361767 1.00 NAA50 (0.88) NAA50CHATEP300KAT5AURKA
SCHEMBL28130999 1.00 NAA50 (0.88) NAA50CHATEP300KAT5AURKA
Phosphoric Acid SCHEMBL30705430 0.99 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
Methane SCHEMBL18038085 0.99 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
Methane SCHEMBL28198292 0.99 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
Acetic Acid SCHEMBL30464957 0.98 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
Acetic Acid SCHEMBL26923237 0.98 NAA50 (0.87) 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
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