SCHEMBL30919280

SCHEMBL30919280

CC(C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CCC(=O)C=[N+]=[N-])C(=O)N[C@@H](CCC(=O)C=[N+]=[N-])C(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.44
▸ TLR2 O60603 2/20 0.42
▸ MDM4 O15151 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MDM2 Q00987 1/20 0.41

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
SCHEMBL30919303 0.97 PTPN1 (0.44) PTPN1MDM4TP53MDM2
SCHEMBL30919283 0.94 PTPN1 (0.40) PTPN1TLR2MDM4TP53MDM2
SCHEMBL30919304 0.94 PTPN1 (0.40) PTPN1TLR2MDM4TP53MDM2
SCHEMBL30948674 0.93 MDM4 (0.45) TLR2MDM4TP53MDM2
SCHEMBL30948717 0.92 MDM4 (0.41) PTPN1MDM4TP53MDM2
SCHEMBL30948714 0.91 PTPN1 (0.45) PTPN1MDM4TP53MDM2
SCHEMBL30948814 0.91 PTPN1 (0.48) PTPN1MDM4TP53MDM2
SCHEMBL30948747 0.90 PTPN1 (0.48) PTPN1MDM4TP53
SCHEMBL30948715 0.90 MDM4 (0.40) PTPN1MDM4TP53MDM2
SCHEMBL30948772 0.89 KMT2A (0.44) TLR2MDM4TP53MDM2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4612124-A1 AZOTOMYCIN PRODRUGS WITH PREFERENTIAL TUMOR DELIVERY The Johns Hopkins University (US) 2025-09-10 — — EP disclosed
WO-2024097320-A1 AZOTOMYCIN PRODRUGS WITH PREFERENTIAL TUMOR DELIVERY THE JOHNS HOPKINS UNIVERSITY (US) 2024-05-10 — — WO disclosed
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