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SCHEMBL3194348

SCHEMBL3194348

CCCCC(C)C(=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@H](O)[C@@H]1OP(=O)(O)O

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NAA50 Q9GZZ1 2/20 0.83
▸ CHAT P28329 2/20 0.79
▸ EP300 Q09472 3/20 0.78
▸ KAT5 Q92993 2/20 0.78
▸ AURKA O14965 2/20 0.78
▸ KAT2B Q92831 1/20 0.78
▸ CREBBP Q92793 1/20 0.71

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
SCHEMBL27596832 0.98 NAA50 (0.82) NAA50CHATEP300KAT5AURKA
SCHEMBL19009010 0.98 NAA50 (0.81) NAA50CHATEP300KAT5AURKA
SCHEMBL4587701 0.98 NAA50 (0.81) NAA50CHATEP300KAT5AURKA
SCHEMBL19009003 0.98 NAA50 (0.81) NAA50CHATEP300KAT5AURKA
SCHEMBL16974407 0.98 NAA50 (0.81) NAA50CHATEP300KAT5AURKA
SCHEMBL4436576 0.98 NAA50 (0.81) NAA50CHATEP300KAT5AURKA
SCHEMBL285429 0.97 NAA50 (0.84) NAA50CHATEP300KAT5AURKA
SCHEMBL30046331 0.97 NAA50 (0.84) NAA50CHATEP300KAT5AURKA
SCHEMBL26677033 0.97 NAA50 (0.84) NAA50CHATEP300KAT5AURKA
SCHEMBL29652070 0.96 NAA50 (0.83) 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-20100035309-A1 ANALYSIS AND ENHANCEMENT OF METABOLIC PATHWAYS FOR METHANOGENESIS LUCA TECHNOLOGIES, INC. (US) 2010-02-11 — — US disclosed