Idarubicin

Idarubicin

SCHEMBL20541733

CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O.CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O

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 Idarubicin. 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 4/20 1.00
MEN1 O00255 9/20 1.00
THRB P10828 9/20 1.00
KMT2A Q03164 9/20 1.00
BLM P54132 8/20 1.00
RECQL P46063 7/20 1.00
MAPT P10636 6/20 1.00
BRCA1 P38398 6/20 1.00
SMN1; SMN2 Q16637 6/20 1.00
HIF1A Q16665 6/20 1.00
MAPK1 P28482 5/20 1.00
HTT P42858 5/20 1.00
S100A4 P26447 5/20 1.00
CYP3A4 P08684 4/20 1.00
USP2 O75604 4/20 1.00
CYP1A2 P05177 4/20 1.00
CHRM1 P11229 4/20 1.00
STAT6 P42226 4/20 1.00
APEX1 P27695 3/20 1.00
NPC1 O15118 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
Idarubicin SCHEMBL13488561 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Idarubicin SCHEMBL16609956 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Idarubicin SCHEMBL12257447 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Idarubicin SCHEMBL15159345 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Idarubicin SCHEMBL13575798 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Idarubicin SCHEMBL18738468 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Idarubicin SCHEMBL3750 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Idarubicin SCHEMBL16606206 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Idarubicin SCHEMBL7029978 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Idarubicin SCHEMBL10061859 1.00 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023224197-A1 MICRO-STRUCTURED BODY EMPLOYING GYROID FORM IN TRIPLY PERIODIC MINIMAL SURFACE STRUCTURES 재단법인 한국마이크로의료로봇연구원 2023-11-23 WO disclosed
WO-2023113134-A1 EXTRACELLULAR VESICLES DERIVED FROM DRUG-LOADED IMMUNE CELLS, AND PREPARATION METHOD THEREFOR 전남대학교산학협력단 2023-06-22 WO disclosed
EP-3675838-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS Puretecch LYT, Inc. (US) 2020-07-08 EP disclosed
WO-2019046491-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS ARIYA THERAPEUTICS, INC. (US) 2019-03-07 WO disclosed
WO-2018193477-A1 A MEDICAMENT FOR THE TREATMENT OF DISEASES BY BIOFILM FORMING MICROORGANISMS INDIAN INSTITUTE OF TECHNOLOGY, DELHI (IN) 2018-10-25 WO disclosed