Melinacidin Iv

Melinacidin Iv

SCHEMBL30713080

CN1C(=O)[C@@]23SSC1(CO)C(=O)N2[C@H]1Nc2ccccc2[C@@]1(C12c4ccccc4N[C@@H]1N1C(=O)[C@]4(CO)SS[C@]1(C(=O)N4C)[C@H]2O)[C@@H]3O

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.74
▸ EHMT2 Q96KQ7 13/20 0.61
▸ EP300 Q09472 6/20 0.61
▸ HIF1A Q16665 5/20 0.61
▸ SUV39H1 O43463 4/20 0.61
▸ NSD2 O96028 1/20 0.61
▸ TXNRD1 Q16881 1/20 0.61
▸ NSD1 Q96L73 1/20 0.61
▸ NSD3 Q9BZ95 1/20 0.61
▸ CREBBP Q92793 2/20 0.41
▸ PKM P14618 1/20 0.39
▸ FNTA P49354 1/20 0.39
▸ FNTB P49356 1/20 0.39
▸ PGGT1B P53609 1/20 0.39
▸ RNF31 Q96EP0 1/20 0.39
▸ RBCK1 Q9BYM8 1/20 0.39
▸ SHARPIN Q9H0F6 1/20 0.39

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
Melinacidin Iv SCHEMBL19275171 1.00 KMT2A (0.74) KMT2AEHMT2EP300HIF1ASUV39H1
Verticillin B SCHEMBL17975438 0.96 KMT2A (0.82) KMT2AEHMT2EP300HIF1ASUV39H1
Verticillin B SCHEMBL21497282 0.96 KMT2A (0.82) KMT2AEHMT2EP300HIF1ASUV39H1
Verticillin B SCHEMBL5894069 0.96 KMT2A (0.82) KMT2AEHMT2EP300HIF1ASUV39H1
SCHEMBL30718025 0.92 KMT2A (0.63) KMT2AEHMT2EP300HIF1ASUV39H1
SCHEMBL17975444 0.92 KMT2A (0.63) KMT2AEHMT2EP300HIF1ASUV39H1
SCHEMBL30718026 0.92 KMT2A (0.63) KMT2AEHMT2EP300HIF1ASUV39H1
SCHEMBL29623116 0.92 KMT2A (0.74) KMT2AEHMT2EP300HIF1ASUV39H1
SCHEMBL17975437 0.90 KMT2A (0.61) KMT2AEHMT2EP300HIF1ASUV39H1
SCHEMBL29623437 0.88 KMT2A (0.82) KMT2AEHMT2EP300HIF1ASUV39H1

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-117285592-A Preparation method of cyclohexalipopeptides natural product Cladoamide B 哈尔滨工业大学(深圳) 2023-12-26 — — CN disclosed
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