SCHEMBL18038084

SCHEMBL18038084

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)CCCl

nearest known ligand 0.88

Predicted protein targets (top 7)

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

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
SCHEMBL4287977 0.98 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL28290381 0.97 NAA50 (0.89) NAA50CHATEP300KAT5AURKA
SCHEMBL3242015 0.97 NAA50 (0.89) NAA50CHATEP300KAT5AURKA
SCHEMBL27877871 0.95 NAA50 (0.89) NAA50CHATEP300KAT5AURKA
SCHEMBL27571436 0.95 NAA50 (0.89) NAA50CHATEP300KAT5AURKA
SCHEMBL25252 0.95 NAA50 (0.89) NAA50CHATEP300KAT5AURKA
SCHEMBL26116845 0.95 NAA50 (0.89) NAA50CHATEP300KAT5AURKA
SCHEMBL502465 0.95 NAA50 (0.89) NAA50CHATEP300KAT5AURKA
SCHEMBL4368641 0.95 NAA50 (0.89) NAA50CHATEP300KAT5AURKA
SCHEMBL59721 0.95 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10851393-B2 KAS-III free FA synthesis WILLIAM MARSH RICE UNIVERSITY (US) 2020-12-01 — — US disclosed
US-20180148746-A1 KAS-III FREE FA SYNTHESIS WILLIAM MARSH RICE UNIVERSITY 2018-05-31 — — US disclosed
WO-2016137897-A1 KASIII-FREE FA SYNTHESIS WILLIAM MARSH RICE UNIVERSITY (US) 2016-09-01 — — WO disclosed
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