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Zorubicin

Zorubicin

SCHEMBL28142133

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.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(C)=N/NC(=O)c1ccccc1)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TOP2A

The experimentally established mechanism targets of Zorubicin. 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 0.82
▸ MEN1 O00255 8/20 0.82
▸ THRB P10828 8/20 0.82
▸ KMT2A Q03164 8/20 0.82
▸ BRCA1 P38398 7/20 0.82
▸ RECQL P46063 7/20 0.82
▸ BLM P54132 7/20 0.82
▸ SMN1; SMN2 Q16637 7/20 0.82
▸ HIF1A Q16665 7/20 0.82
▸ MAPT P10636 6/20 0.82
▸ MAPK1 P28482 6/20 0.82
▸ CYP3A4 P08684 5/20 0.82
▸ USP2 O75604 5/20 0.82
▸ TDP1 Q9NUW8 5/20 0.82
▸ CYP1A2 P05177 4/20 0.82
▸ CHRM1 P11229 4/20 0.82
▸ KDM4E B2RXH2 4/20 0.82
▸ ALDH1A1 P00352 4/20 0.82
▸ TP53 P04637 3/20 0.82
▸ NR3C1 P04150 3/20 0.82

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
Zorubicin SCHEMBL13840951 0.98 S100A4 (0.84) MEN1THRBKMT2ABRCA1RECQL
Zorubicin SCHEMBL29352324 0.98 S100A4 (0.84) MEN1THRBKMT2ABRCA1RECQL
Zorubicin SCHEMBL1651187 0.98 S100A4 (0.84) MEN1THRBKMT2ABRCA1RECQL
Zorubicin SCHEMBL8231 0.98 S100A4 (0.84) MEN1THRBKMT2ABRCA1RECQL
Zorubicin SCHEMBL8232 0.98 S100A4 (0.84) MEN1THRBKMT2ABRCA1RECQL
Zorubicin SCHEMBL4759324 0.97 MEN1 (0.79) MEN1THRBKMT2ABRCA1RECQL
Zorubicin SCHEMBL29617182 0.97 S100A4 (0.83) MEN1THRBKMT2ABRCA1RECQL
Zorubicin SCHEMBL4023 0.97 S100A4 (0.83) MEN1THRBKMT2ABRCA1RECQL
Zorubicin SCHEMBL4024 0.97 S100A4 (0.83) MEN1THRBKMT2ABRCA1RECQL
Zorubicin SCHEMBL27835878 0.96 S100A4 (0.81) MEN1THRBKMT2ABRCA1RECQL

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103717597-B Heterocyclic compounds as kinase inhibitors 原真股份有限公司 2017-07-04 — — CN disclosed