Epirubicin

Epirubicin

SCHEMBL5613974

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3O[C@H]1CC(N)C(O)C(C)O1

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
HIF1A Q16665 6/20 1.00
SMN1; SMN2 Q16637 6/20 1.00
TDP1 Q9NUW8 6/20 1.00
BRCA1 P38398 6/20 1.00
MAPT P10636 6/20 1.00
MAPK1 P28482 4/20 1.00
STAT6 P42226 4/20 1.00
HTT P42858 4/20 1.00
CHRM1 P11229 3/20 1.00
TBXA2R P21731 3/20 1.00
KDM4E B2RXH2 3/20 1.00
ALDH1A1 P00352 3/20 1.00
ABCB1 P08183 3/20 1.00
PTGS1 P23219 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
Epirubicin SCHEMBL12349863 1.00 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL
Epirubicin SCHEMBL1501770 1.00 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL
Epirubicin SCHEMBL21184881 1.00 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL
Epirubicin SCHEMBL14227487 1.00 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL
Epirubicin SCHEMBL24421866 1.00 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL
Epirubicin SCHEMBL14562311 1.00 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL
Epirubicin SCHEMBL23365786 1.00 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL
Epirubicin SCHEMBL22403027 1.00 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL
Epirubicin SCHEMBL21914951 1.00 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL
Epirubicin SCHEMBL22291815 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-1802606-A2 COMPOSITIONS AND THEIR USE AS ANTI-TUMOR AGENTS Compass Pharmaceuticals LLC (US) 2007-07-04 EP disclosed
WO-2006044975-A2 COMPOSITIONS AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2006-04-27 WO disclosed