Gliocladine A

Gliocladine A

SCHEMBL29794217

CN1C(=O)[C@@]23SSC1(C)C(=O)N2[C@H]1Nc2ccccc2[C@@]1([C@@]12c4ccccc4N[C@@H]1N1C(=O)[C@@]4(C)SSS[C@]1(C(=O)N4C)[C@H]2O)[C@@H]3O

nearest known ligand 0.91

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.91
▸ EHMT2 Q96KQ7 7/20 0.53
▸ SUV39H1 O43463 3/20 0.53
▸ HIF1A Q16665 3/20 0.40
▸ EP300 Q09472 2/20 0.40
▸ NSD2 O96028 1/20 0.40
▸ TXNRD1 Q16881 1/20 0.40
▸ NSD1 Q96L73 1/20 0.40
▸ NSD3 Q9BZ95 1/20 0.40
▸ TACR1 P25103 1/20 0.31

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
Gliocladine B SCHEMBL30076641 0.98 KMT2A (0.91) KMT2AEHMT2SUV39H1HIF1AEP300
Verticillin A SCHEMBL3291373 0.96 KMT2A (1.00) KMT2AEHMT2SUV39H1HIF1AEP300
Verticillin A SCHEMBL15791200 0.96 KMT2A (1.00) KMT2AEHMT2SUV39H1HIF1AEP300
Verticillin A SCHEMBL19275238 0.96 KMT2A (1.00) KMT2AEHMT2SUV39H1HIF1AEP300
Verticillin A SCHEMBL18294765 0.96 KMT2A (1.00) KMT2AEHMT2SUV39H1HIF1AEP300
Verticillin A SCHEMBL29623144 0.96 KMT2A (1.00) KMT2AEHMT2SUV39H1HIF1AEP300
Verticillin A SCHEMBL29623110 0.91 KMT2A (0.91) KMT2AEHMT2SUV39H1HIF1AEP300
Verticillin B SCHEMBL17975438 0.87 KMT2A (0.82) KMT2AEHMT2SUV39H1HIF1AEP300
Verticillin B SCHEMBL5894069 0.87 KMT2A (0.82) KMT2AEHMT2SUV39H1HIF1AEP300
Verticillin B SCHEMBL21497282 0.87 KMT2A (0.82) KMT2AEHMT2SUV39H1HIF1AEP300

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
CN-113402471-B Siderophore compounds derived from plant endophytic fungi as well as preparation method and application of siderophore compounds 华东理工大学 2022-09-13 — — CN disclosed
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