Epirubicin

Epirubicin

SCHEMBL21669731

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(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 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 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 SCHEMBL21669733 1.00 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL
Doxorubicin SCHEMBL5324652 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

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3702783-A1 METHODS FOR DETERMINING CELLS SUCH AS CIRCULATING CANCER OR FETAL CELLS Analiza, Inc. (US) 2020-09-02 EP disclosed
EP-3080341-B1 METHODS FOR DETERMINING AND/OR ISOLATING CELLS SUCH AS CIRCULATING CANCER OR FETAL CELLS ANALIZA INC (US) 2020-02-12 EP disclosed