Daunorubicin

Daunorubicin

SCHEMBL3043596

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC(N)C(O)C(C)O1.O=S(=O)(O)O

nearest known ligand 0.96

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 0.96
MEN1 O00255 10/20 0.96
THRB P10828 10/20 0.96
KMT2A Q03164 10/20 0.96
BLM P54132 9/20 0.96
RECQL P46063 8/20 0.96
BRCA1 P38398 7/20 0.96
SMN1; SMN2 Q16637 7/20 0.96
HIF1A Q16665 7/20 0.96
MAPT P10636 7/20 0.96
TDP1 Q9NUW8 6/20 0.96
MAPK1 P28482 6/20 0.96
CYP3A4 P08684 5/20 0.96
USP2 O75604 5/20 0.96
HTT P42858 5/20 0.96
CYP1A2 P05177 4/20 0.96
CHRM1 P11229 4/20 0.96
KDM4E B2RXH2 4/20 0.96
ALDH1A1 P00352 4/20 0.96
TP53 P04637 3/20 0.96

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 SCHEMBL3043592 1.00 MEN1 (0.96) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL6423273 0.98 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL13840952 0.98 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL10061862 0.98 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL15159339 0.98 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL24914323 0.98 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL289431 0.98 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL12864552 0.98 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL22694307 0.98 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL6423269 0.98 MEN1 (1.00) 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
CN-114929213-A Alkaline chemotherapeutic intratumoral injection composition 美国纳米食品药品公司 2022-08-19 CN claimed
CN-114929213-A Alkaline chemotherapeutic intratumoral injection composition 美国纳米食品药品公司 2022-08-19 CN disclosed
EP-1586328-B1 AGENT FOR IMPROVING LIFE EXPECTANCY IN THERAPY OF MALIGNANT TUMOR CHEMO SERO THERAPEUT RES INST (JP) 2013-02-20 EP disclosed
US-20100120693-A1 MEDICAMENT FOR IMPROVING PROGNOSTIC SURVIVAL IN THERAPY OF MALIGNANT TUMOR JURIDICAL FOUNDATION THE CHEMO-SERO-THERAPEUTIC RESEARCH INSTITUTE (JP) 2010-05-13 US disclosed
US-20080182791-A1 Medicament for Improving Prognostic Survival in Therapy of Malignant Tumor JURIDICAL FOUNDATION THE CHEMO-SERO-THERAPEUTIC RESEARCH INSTITUTE (JP) 2008-07-31 US disclosed
US-20060094650-A1 Agent for improving life expectancy in therapy of malignant tumor JURIDICAL FOUNDATION THE CHEMO-SERO- THERAPEUTIC RESEARCH INSTITUTE (JP) 2006-05-04 US disclosed
EP-1586328-A1 AGENT FOR IMPROVING LIFE EXPECTANCY IN THERAPY OF MALIGNANT TUMOR Juridical Foundation, The Chemo-Sero-Therapeutic Research Institute (JP) 2005-10-19 EP disclosed