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Daunorubicin

Daunorubicin

SCHEMBL23909359

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=S(=O)(O)O

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TOP2A

The experimentally established mechanism targets of Daunorubicin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A known ✓ P11388 5/20 0.82
▸ MEN1 O00255 10/20 0.82
▸ THRB P10828 10/20 0.82
▸ KMT2A Q03164 10/20 0.82
▸ BLM P54132 9/20 0.82
▸ RECQL P46063 8/20 0.82
▸ BRCA1 P38398 7/20 0.82
▸ SMN1; SMN2 Q16637 7/20 0.82
▸ HIF1A Q16665 7/20 0.82
▸ MAPT P10636 7/20 0.82
▸ TDP1 Q9NUW8 6/20 0.82
▸ MAPK1 P28482 6/20 0.82
▸ CYP3A4 P08684 5/20 0.82
▸ USP2 O75604 5/20 0.82
▸ HTT P42858 5/20 0.82
▸ CYP1A2 P05177 4/20 0.82
▸ CHRM1 P11229 4/20 0.82
▸ KDM4E B2RXH2 4/20 0.82
▸ ALDH1A1 P00352 4/20 0.82
▸ TBXA2R P21731 3/20 0.82

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
Daunorubicin SCHEMBL23909361 1.00 MEN1 (0.82) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL29354629 0.98 MEN1 (0.85) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL42311 0.98 MEN1 (0.85) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL22534202 0.98 MEN1 (0.85) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL3644783 0.98 MEN1 (0.85) MEN1THRBKMT2ABLMRECQL
Doxorubicin SCHEMBL19024333 0.94 MEN1 (0.83) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL3043596 0.93 MEN1 (0.96) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL3043592 0.93 MEN1 (0.96) MEN1THRBKMT2ABLMRECQL
Epirubicin SCHEMBL23909357 0.92 MEN1 (0.87) MEN1THRBKMT2ABLMRECQL
Doxorubicin SCHEMBL1071625 0.92 MEN1 (0.87) MEN1THRBKMT2ABLMRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4135686-A1 BASIC CHEMOTHERAPEUTIC INTRATUMOUR INJECTION FORMULATION US Nano Food & Drug Inc (US) 2023-02-22 — — EP claimed
WO-2021211294-A1 BASIC CHEMOTHERAPEUTIC INTRATUMOUR INJECTION FORMULATION US Nano Food & Drug INC (US) 2021-10-21 — — WO claimed
US-20210315913-A1 BASIC CHEMOTHERAPEUTIC INTRATUMOUR INJECTION FORMULATION US Nano Food & Drug, Inc (US) 2021-10-14 — — US claimed
US-11752165-B2 Basic chemotherapeutic intratumour injection formulation US Nano Food & Drug, Inc (US) 2023-09-12 — — US disclosed
EP-4135686-A1 BASIC CHEMOTHERAPEUTIC INTRATUMOUR INJECTION FORMULATION US Nano Food & Drug Inc (US) 2023-02-22 — — EP disclosed
WO-2021211294-A1 BASIC CHEMOTHERAPEUTIC INTRATUMOUR INJECTION FORMULATION US Nano Food & Drug INC (US) 2021-10-21 — — WO disclosed
US-20210315913-A1 BASIC CHEMOTHERAPEUTIC INTRATUMOUR INJECTION FORMULATION US Nano Food & Drug, Inc (US) 2021-10-14 — — US disclosed