Mitoxantrone

Mitoxantrone

SCHEMBL20214110

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 1.00
▸ MEN1 O00255 6/20 1.00
▸ KMT2A Q03164 6/20 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
▸ NSD2 O96028 3/20 1.00
▸ NPC1 O15118 3/20 1.00
▸ RAB9A P51151 3/20 1.00
▸ CSNK2A2 P19784 3/20 1.00
▸ CSNK2B P67870 3/20 1.00
▸ CSNK2A1 P68400 3/20 1.00
▸ CSNK2A3 Q8NEV1 3/20 1.00
▸ SMN1; SMN2 Q16637 2/20 1.00
▸ MTOR P42345 2/20 1.00
▸ CYP3A4 P08684 2/20 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
SCHEMBL11391594 1.00 MEN1 (1.00) MEN1KMT2AMAPK1TDP1LMNA
SCHEMBL11038495 1.00 MEN1 (1.00) MEN1KMT2AMAPK1TDP1LMNA
Mitoxantrone SCHEMBL29353270 1.00 MEN1 (1.00) MEN1KMT2AMAPK1TDP1LMNA
SCHEMBL11036806 1.00 MEN1 (1.00) MEN1KMT2AMAPK1TDP1LMNA
SCHEMBL11041207 1.00 MEN1 (1.00) MEN1KMT2AMAPK1TDP1LMNA
Mitoxantrone SCHEMBL29720597 1.00 MEN1 (1.00) MEN1KMT2AMAPK1TDP1LMNA
Mitoxantrone SCHEMBL3000 1.00 MEN1 (1.00) MEN1KMT2AMAPK1TDP1LMNA
SCHEMBL11517949 1.00 MEN1 (1.00) MEN1KMT2AMAPK1TDP1LMNA
Mitoxantrone SCHEMBL532914 0.98 MEN1 (1.00) MEN1KMT2AMAPK1TDP1LMNA
Mitoxantrone SCHEMBL3928 0.98 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3675838-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS Puretecch LYT, Inc. (US) 2020-07-08 — — EP disclosed
EP-3548005-A1 EXOSOMES FOR DELIVERY OF THERAPEUTIC AGENTS Puretech Health LLC (US) 2019-10-09 — — EP disclosed
WO-2019046491-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS ARIYA THERAPEUTICS, INC. (US) 2019-03-07 — — WO disclosed
WO-2018102397-A1 EXOSOMES FOR DELIVERY OF THERAPEUTIC AGENTS PureTech Health LLC (US) 2018-06-07 — — WO disclosed
CN-106714822-A Combination therapy for treatment of cancer 昂科梅德制药有限公司 2017-05-24 — — CN disclosed
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