SCHEMBL28041178

SCHEMBL28041178

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(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCN

nearest known ligand 0.87

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NAA50 Q9GZZ1 2/20 0.85
▸ CHAT P28329 2/20 0.82
▸ EP300 Q09472 3/20 0.80
▸ KAT5 Q92993 2/20 0.80
▸ AURKA O14965 2/20 0.80
▸ KAT2B Q92831 1/20 0.80
▸ CREBBP Q92793 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
SCHEMBL284786 1.00 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
SCHEMBL18918369 1.00 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
SCHEMBL29396999 1.00 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
SCHEMBL28216089 1.00 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
SCHEMBL19693052 0.99 NAA50 (0.86) NAA50CHATEP300KAT5AURKA
SCHEMBL15299842 0.99 NAA50 (0.86) NAA50CHATEP300KAT5AURKA
SCHEMBL29530678 0.98 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL22556110 0.98 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL59962 0.98 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL59721 0.96 NAA50 (0.88) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104995293-A Microorganisms and methods for enhancing the availability of reducing equipments in the presence of methanol, and for producing adipate, 6-aminocaproate, hexamethylenediamine or caprolactam related thereto GENOMATICA INC 2015-10-21 — — CN claimed
CN-107922957-A For producing microorganism and the method for the target product with the biosynthesis for dropping low-level accessory substance 基因组股份公司 2018-04-17 — — CN disclosed
CN-105745327-A High-yield route for producing compounds from renewable resources 兹莫克姆有限公司 2016-07-06 — — CN disclosed
CN-104995293-A Microorganisms and methods for enhancing the availability of reducing equipments in the presence of methanol, and for producing adipate, 6-aminocaproate, hexamethylenediamine or caprolactam related thereto GENOMATICA INC 2015-10-21 — — CN disclosed
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