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Epirubicin

Epirubicin

SCHEMBL23909357

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)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

nearest known ligand 0.87

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TOP2A

The experimentally established mechanism targets of Epirubicin. 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 0.87
▸ MEN1 O00255 8/20 0.87
▸ KMT2A Q03164 8/20 0.87
▸ THRB P10828 7/20 0.87
▸ BLM P54132 7/20 0.87
▸ RECQL P46063 6/20 0.87
▸ HIF1A Q16665 6/20 0.87
▸ SMN1; SMN2 Q16637 6/20 0.87
▸ BRCA1 P38398 6/20 0.87
▸ TDP1 Q9NUW8 5/20 0.87
▸ MAPT P10636 5/20 0.87
▸ MAPK1 P28482 4/20 0.87
▸ STAT6 P42226 4/20 0.87
▸ CHRM1 P11229 3/20 0.87
▸ TBXA2R P21731 3/20 0.87
▸ KDM4E B2RXH2 3/20 0.87
▸ ALDH1A1 P00352 3/20 0.87
▸ ABCB1 P08183 3/20 0.87
▸ PTGS1 P23219 3/20 0.87
▸ HTT P42858 3/20 0.87

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
Doxorubicin SCHEMBL1071625 1.00 MEN1 (0.87) MEN1KMT2ATHRBBLMRECQL
Doxorubicin SCHEMBL14953344 0.99 MEN1 (0.87) MEN1KMT2ATHRBBLMRECQL
Doxorubicin SCHEMBL19024333 0.97 MEN1 (0.83) MEN1KMT2ATHRBBLMRECQL
Daunorubicin SCHEMBL29354629 0.94 MEN1 (0.85) MEN1KMT2ATHRBBLMRECQL
Daunorubicin SCHEMBL42311 0.94 MEN1 (0.85) MEN1KMT2ATHRBBLMRECQL
Daunorubicin SCHEMBL22534202 0.93 MEN1 (0.85) MEN1KMT2ATHRBBLMRECQL
Daunorubicin SCHEMBL3644783 0.93 MEN1 (0.85) MEN1KMT2ATHRBBLMRECQL
Epirubicin SCHEMBL21914951 0.93 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL
Epirubicin SCHEMBL22403027 0.93 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL
Epirubicin SCHEMBL23365786 0.93 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL

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
CN-114929213-A Alkaline chemotherapeutic intratumoral injection composition 美国纳米食品药品公司 2022-08-19 — — CN 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
CN-114929213-A Alkaline chemotherapeutic intratumoral injection composition 美国纳米食品药品公司 2022-08-19 — — CN 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