SCHEMBL11041207

SCHEMBL11041207

O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCNCCNc3ccc(NCCNCCO)c4c3C(=O)c3c(O)ccc(O)c3C4=O)ccc(NCCNCCO)c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
TOP2A P11388 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
Mitoxantrone SCHEMBL20214110 1.00 MEN1 (1.00) MEN1KMT2AMAPK1TDP1LMNA
Mitoxantrone SCHEMBL29353270 1.00 MEN1 (1.00) MEN1KMT2AMAPK1TDP1LMNA
SCHEMBL11038495 1.00 MEN1 (1.00) MEN1KMT2AMAPK1TDP1LMNA
SCHEMBL11036806 1.00 MEN1 (1.00) MEN1KMT2AMAPK1TDP1LMNA
Mitoxantrone SCHEMBL3000 1.00 MEN1 (1.00) MEN1KMT2AMAPK1TDP1LMNA
SCHEMBL11517949 1.00 MEN1 (1.00) MEN1KMT2AMAPK1TDP1LMNA
SCHEMBL11391594 1.00 MEN1 (1.00) MEN1KMT2AMAPK1TDP1LMNA
Mitoxantrone SCHEMBL29720597 1.00 MEN1 (1.00) MEN1KMT2AMAPK1TDP1LMNA
Mitoxantrone SCHEMBL2342900 0.98 MEN1 (1.00) MEN1KMT2AMAPK1TDP1LMNA
Hydrochloric Acid SCHEMBL10522176 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0042940-B1 HETEROALKYLENE-BIS-ANTHRAQUINONES AMERICAN CYANAMID COMPANY (US) 1984-06-06 EP claimed