Mitoxantrone

Mitoxantrone

SCHEMBL2342900

Cl.Cl.Cl.Cl.O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21.O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21.O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21

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 Mitoxantrone. 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 2/20 0.97
MEN1 O00255 5/20 1.00
KMT2A Q03164 5/20 1.00
MAPK1 P28482 4/20 1.00
TDP1 Q9NUW8 4/20 1.00
LMNA P02545 3/20 1.00
BLM P54132 3/20 1.00
USP2 O75604 3/20 1.00
TP53 P04637 3/20 1.00
RECQL P46063 3/20 1.00
MAPT P10636 3/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
NPSR1 Q6W5P4 2/20 1.00
L3MBTL1 Q9Y468 2/20 1.00
POLB P06746 2/20 1.00
KDM4E B2RXH2 2/20 1.00
ALDH1A1 P00352 2/20 1.00
APEX1 P27695 2/20 1.00
GMNN O75496 1/20 1.00
PIM1 P11309 1/20 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
Mitoxantrone SCHEMBL29462659 1.00 MEN1 (1.00) MEN1KMT2AMAPK1TDP1LMNA
Hydrochloric Acid SCHEMBL11305688 1.00 MEN1 (1.00) MEN1KMT2AMAPK1TDP1LMNA
Mitoxantrone SCHEMBL29366412 1.00 MEN1 (1.00) MEN1KMT2AMAPK1TDP1LMNA
Hydrochloric Acid SCHEMBL10522176 1.00 MEN1 (1.00) MEN1KMT2AMAPK1TDP1LMNA
Mitoxantrone SCHEMBL1256885 1.00 MEN1 (1.00) MEN1KMT2AMAPK1TDP1LMNA
Hydrochloric Acid SCHEMBL11039686 1.00 MEN1 (1.00) MEN1KMT2AMAPK1TDP1LMNA
Mitoxantrone SCHEMBL532914 1.00 MEN1 (1.00) MEN1KMT2AMAPK1TDP1LMNA
Mitoxantrone SCHEMBL66384 1.00 MEN1 (1.00) MEN1KMT2AMAPK1TDP1LMNA
Mitoxantrone SCHEMBL3928 1.00 MEN1 (1.00) MEN1KMT2AMAPK1TDP1LMNA
Hydrochloric Acid SCHEMBL11278695 1.00 MEN1 (1.00) MEN1KMT2AMAPK1TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3630083-A1 DIMETHYL-NONATETRAENYL-TRIMETHYL-CYCLOHEXYL COMPOUNDS AND USES THEREOF The Regents of The University of Michigan (US) 2020-04-08 EP disclosed
EP-3534905-A1 SMALL MOLECULE DUAL INHIBITORS OF EGFR/PI3K AND USES THEREOF The Regents of The University of Michigan (US) 2019-09-11 EP disclosed
WO-2018217873-A1 DIMETHYL-NONATETRAENYL-TRIMETHYL-CYCLOHEXYL COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-11-29 WO disclosed
WO-2018081719-A1 SMALL MOLECULE INHIBITORS OF NEK2 AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2018-05-03 WO disclosed
EP-3285583-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF The Regents of The University of Michigan (US) 2018-02-28 EP disclosed
WO-2017165663-A1 BIOMARKERS FOR CANCER ASSOCIATED WITH HEDGEHOG PATHWAY ACTIVITY AND RELATED USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2017-09-28 WO disclosed
WO-2016172218-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-10-27 WO disclosed
EP-2970965-A2 DNAI FOR THE MODULATION OF GENES Pronai Therapeutics, Inc. (US) 2016-01-20 EP disclosed
EP-2911748-A1 CANCER STEM CELL VACCINATION AND TREATMENT The Regents Of The University Of Michigan (US) 2015-09-02 EP disclosed
WO-2014144942-A2 DNAI FOR THE MODULATION OF GENES PRONAI THERAPEUTICS, INC. (US) 2014-09-18 WO disclosed
WO-2014066615-A1 CANCER STEM CELL VACCINATION AND TREATMENT THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-05-01 WO disclosed
WO-2014047232-A2 C-REL INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2014-03-27 WO disclosed
WO-2013119923-A1 DIFFERENT STATES OF CANCER STEM CELLS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-08-15 WO disclosed
EP-2536431-A2 COMPOSITIONS AND METHODS FOR INHIBITING MMSET The Regents of The University of Michigan (US) 2012-12-26 EP disclosed
WO-2011102999-A2 SPINK1 TARGETED THERAPY THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-08-25 WO disclosed
WO-2011103028-A2 COMPOSITIONS AND METHODS FOR INHIBITING MMSET THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-08-25 WO disclosed