Doxorubicin

Doxorubicin

SCHEMBL177976

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.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.Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TOP2A

The experimentally established mechanism targets of Doxorubicin. 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 1.00
MEN1 O00255 9/20 1.00
KMT2A Q03164 9/20 1.00
THRB P10828 8/20 1.00
BLM P54132 8/20 1.00
RECQL P46063 7/20 1.00
SMN1; SMN2 Q16637 6/20 1.00
HIF1A Q16665 6/20 1.00
TDP1 Q9NUW8 6/20 1.00
BRCA1 P38398 6/20 1.00
MAPT P10636 6/20 1.00
S100A4 P26447 6/20 1.00
MAPK1 P28482 4/20 1.00
USP2 O75604 4/20 1.00
CYP3A4 P08684 4/20 1.00
STAT6 P42226 4/20 1.00
PAX8 Q06710 4/20 1.00
KDM4E B2RXH2 3/20 1.00
ALDH1A1 P00352 3/20 1.00
ABCB1 P08183 3/20 1.00

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 SCHEMBL317301 1.00 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL
Epirubicin SCHEMBL9335136 1.00 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL
Epirubicin SCHEMBL6251124 1.00 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL
Doxorubicin SCHEMBL3242 1.00 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL
Epirubicin SCHEMBL571906 1.00 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL
Epirubicin SCHEMBL317302 1.00 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL
Epirubicin SCHEMBL6423994 1.00 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL
Doxorubicin SCHEMBL57097 1.00 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL
Epirubicin SCHEMBL21669731 1.00 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL
Epirubicin SCHEMBL21669733 1.00 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

Appears in 3021 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023222019-A1 LIGAND-DRUG CONJUGATE AND USE THEREOF 成都百利多特生物药业有限责任公司 2023-11-23 WO claimed
WO-2023141560-A2 ALKALINE PHOSPHATASE FOR USE IN ONCOLOGY SYNTHETIC BIOLOGICS, INC. (US) 2023-07-27 WO claimed
US-20220298252-A1 METHODS OF TREATING CANCER USING TNFRSF25 ANTIBODIES PELICAN THERAPEUTICS, INC. 2022-09-22 US claimed
EP-4021494-A1 METHODS OF TREATING CANCER USING TNFRSF25 ANTIBODIES Pelican Therapeutics, Inc. (US) 2022-07-06 EP claimed
US-20220185863-A1 COMBINATION THERAPIES SHATTUCK LABS, INC. 2022-06-16 US claimed
CN-114502195-A Methods of treating cancer using TNFRSF25 antibodies 派立卡恩治疗公司 2022-05-13 CN claimed
WO-2022081521-A1 INOSITOL-BISPYROPHOSPHATE-DERIVED COMPOUNDS AND USES THEREOF NICOLAU YVES CLAUDE (US) 2022-04-21 WO claimed
EP-3930851-A1 COMBINATION THERAPIES Shattuck Labs, Inc. (US) 2022-01-05 EP claimed
CN-113747947-A Combination therapy 沙塔克实验室有限公司 2021-12-03 CN claimed
EP-3876988-A1 CDCP1-TARGETED THERAPIES Beth Israel Deaconess Medical Center (US) 2021-09-15 EP claimed
EP-3773686-A1 ALKALINE PHOSPHATASE AGENTS FOR TREATMENT OF RADIATION DISORDERS Synthetic Biologics, Inc. (US) 2021-02-17 EP claimed
US-20210023182-A1 ALKALINE PHOSPHATASE AGENTS FOR TREATMENT OF RADIATION DISORDERS THERIVA BIOLOGICS, INC. 2021-01-28 US claimed
US-20200405778-A1 MICROBIOME RELATED IMMUNOTHERAPIES FINCH THERAPEUTICS HOLDINGS LLC 2020-12-31 US claimed
EP-3755353-A1 MICROBIOME RELATED IMMUNOTHERAPIES Crestovo Holdings LLC (US) 2020-12-30 EP claimed
CN-112067805-A Application of beta-1, 4-galactosyltransferase-IsiRNA in drugs for overcoming drug resistance of liver cancer chemotherapy 南通大学 2020-12-11 CN claimed
WO-2019183209-A1 ALKALINE PHOSPHATASE AGENTS FOR TREATMENT OF RADIATION DISORDERS SYNTHETIC BIOLOGICS, INC. (US) 2019-09-26 WO claimed
WO-2019165285-A1 MICROBIOME RELATED IMMUNOTHERAPIES CRESTOVO HOLDINGS LLC (US) 2019-08-29 WO claimed
WO-2016073733-A1 METHODS OF TREATING CANCER USING LIPOPEPTIDES CLEVELAND BIOLABS, INC. (US) 2016-05-12 WO claimed
US-8461178-B2 Naphthyridine derivatives and the use thereof as kinase inhibitors AETERNA ZENTARIS GMBH (DE) 2013-06-11 US claimed
WO-2007149103-A2 VASCULAR TISSUE ENHANCEMENT AND SELECTIVE DESTRUCTION OF CANCEROUS CELLULAR TISSUE KAISER DANIEL E (US) 2007-12-27 WO claimed