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Amrubicin

Amrubicin

SCHEMBL6254801

CC(=O)[C@]1(N)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](O)[C@H](O)CO2)C1)C(=O)c1ccccc1C3=O.CC(=O)[C@]1(N)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](O)[C@H](O)CO2)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 Amrubicin. 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 3/20 0.57
▸ CHRM1 P11229 4/20 1.00
▸ TBXA2R P21731 3/20 1.00
▸ PTGS1 P23219 2/20 1.00
▸ ADRA1A P35348 2/20 1.00
▸ MEN1 O00255 9/20 0.57
▸ THRB P10828 9/20 0.57
▸ KMT2A Q03164 9/20 0.57
▸ BLM P54132 8/20 0.57
▸ RECQL P46063 7/20 0.57
▸ MAPT P10636 6/20 0.57
▸ BRCA1 P38398 6/20 0.57
▸ SMN1; SMN2 Q16637 6/20 0.57
▸ HIF1A Q16665 6/20 0.57
▸ MAPK1 P28482 5/20 0.57
▸ S100A4 P26447 5/20 0.57
▸ HTT P42858 5/20 0.57
▸ CYP3A4 P08684 4/20 0.57
▸ USP2 O75604 4/20 0.57
▸ PAX8 Q06710 4/20 0.57

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
Amrubicin SCHEMBL13091911 1.00 CHRM1 (1.00) CHRM1TBXA2RPTGS1ADRA1AMEN1
Amrubicin SCHEMBL9140 1.00 CHRM1 (1.00) CHRM1TBXA2RPTGS1ADRA1AMEN1
Amrubicin SCHEMBL10061868 1.00 CHRM1 (1.00) CHRM1TBXA2RPTGS1ADRA1AMEN1
Amrubicin SCHEMBL868435 1.00 CHRM1 (1.00) CHRM1TBXA2RPTGS1ADRA1AMEN1
Amrubicin SCHEMBL10079225 1.00 CHRM1 (1.00) CHRM1TBXA2RPTGS1ADRA1AMEN1
Amrubicin SCHEMBL10080133 1.00 CHRM1 (1.00) CHRM1TBXA2RPTGS1ADRA1AMEN1
Amrubicin SCHEMBL119022 1.00 CHRM1 (1.00) CHRM1TBXA2RPTGS1ADRA1AMEN1
Amrubicin SCHEMBL491010 0.99 CHRM1 (0.98) CHRM1TBXA2RPTGS1ADRA1AMEN1
Amrubicin SCHEMBL2524979 0.99 CHRM1 (0.98) CHRM1TBXA2RPTGS1ADRA1AMEN1
Amrubicin SCHEMBL23909356 0.97 CHRM1 (0.95) CHRM1TBXA2RPTGS1ADRA1AMEN1

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-1572239-A1 METHOD OF USING A COX-2 INHIBITOR AND A TOPOISOMERASE II INHIBITOR AS A COMBINATION THERAPY IN THE TREATMENT OF NEOPLASIA Pharmacia Corporation (US) 2005-09-14 — — EP disclosed
WO-2004058302-A1 METHOD OF USING A COX-2 INHIBITOR AND A TOPOISOMERASE II INHIBITOR AS A COMBINATION THERAPY IN THE TREATMENT OF NEOPLASIA PHARMACIA CORPORATION (US) 2004-07-15 — — WO disclosed
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