Daunomycinone

Daunomycinone

SCHEMBL11700352

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O.O=C([O-])[O-].[K+].[K+]

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Daunomycinone. 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
S100A4 P26447 7/20 0.62
MEN1 O00255 8/20 0.60
THRB P10828 8/20 0.60
KMT2A Q03164 8/20 0.60
RECQL P46063 7/20 0.60
BLM P54132 7/20 0.60
BRCA1 P38398 6/20 0.60
SMN1; SMN2 Q16637 6/20 0.60
HIF1A Q16665 6/20 0.60
MAPT P10636 6/20 0.60
TDP1 Q9NUW8 6/20 0.60
CYP3A4 P08684 4/20 0.60
USP2 O75604 4/20 0.60
MAPK1 P28482 4/20 0.60
TOP2A P11388 4/20 0.60
CYP1A2 P05177 3/20 0.60
CHRM1 P11229 3/20 0.60
TBXA2R P21731 3/20 0.60
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 3/20 0.60

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
Daunomycinone SCHEMBL118279 0.96 S100A4 (0.66) S100A4MEN1THRBKMT2ARECQL
Daunomycinone SCHEMBL11520484 0.96 S100A4 (0.66) S100A4MEN1THRBKMT2ARECQL
Daunomycinone SCHEMBL30089793 0.96 S100A4 (0.66) S100A4MEN1THRBKMT2ARECQL
Daunomycinone SCHEMBL118280 0.96 S100A4 (0.66) S100A4MEN1THRBKMT2ARECQL
Daunomycinone SCHEMBL9474409 0.95 S100A4 (0.65) S100A4MEN1THRBKMT2ARECQL
SCHEMBL14562280 0.87 S100A4 (0.66) S100A4MEN1THRBKMT2ARECQL
SCHEMBL11517177 0.86 S100A4 (0.55) S100A4MEN1THRBKMT2ARECQL
SCHEMBL12250542 0.86 MEN1 (0.65) S100A4MEN1THRBKMT2ARECQL
SCHEMBL15607151 0.86 MEN1 (0.65) S100A4MEN1THRBKMT2ARECQL
SCHEMBL30408780 0.86 MEN1 (0.65) S100A4MEN1THRBKMT2ARECQL

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
US-4012284-A STREPTOMYCES Societa' Farmaceutici Italia, S.p.A. (IT) 1977-03-15 US disclosed