SCHEMBL8540909

SCHEMBL8540909

O=C1c2cc[n+]([O-])cc2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2B Q02880 4/20 0.67
MEN1 O00255 4/20 0.56
BLM P54132 4/20 0.56
KMT2A Q03164 4/20 0.56
LMNA P02545 3/20 0.56
MAPK1 P28482 3/20 0.56
RECQL P46063 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NSD2 O96028 3/20 0.56
USP2 O75604 2/20 0.56
TP53 P04637 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
NPC1 O15118 2/20 0.56
MTOR P42345 2/20 0.56
RAB9A P51151 2/20 0.56
TOP2A P11388 2/20 0.56
EGFR P00533 2/20 0.56
HTT P42858 2/20 0.56
CSNK2A1 P68400 2/20 0.56
SLC22A2 O15244 1/20 0.56

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
SCHEMBL8544036 0.92 TOP2B (0.54) TOP2BMEN1BLMKMT2ALMNA
SCHEMBL8544126 0.87 CYP19A1 (0.54) TOP2BMEN1BLMKMT2ALMNA
SCHEMBL8544622 0.84 KMT2A (0.61) TOP2BMEN1BLMKMT2ALMNA
SCHEMBL8539070 0.82 TOP2B (0.42) TOP2BMEN1BLMKMT2ALMNA
SCHEMBL8540388 0.81 ECE1 (0.45) TOP2BMEN1BLMKMT2ALMNA
Ametantrone SCHEMBL3344151 0.81 TOP2B (1.00) TOP2BMEN1BLMKMT2ALMNA
Ametantrone SCHEMBL29723071 0.81 TOP2B (1.00) TOP2BMEN1BLMKMT2ALMNA
SCHEMBL8547001 0.81 TOP2B (0.41) TOP2BMEN1BLMKMT2ALMNA
Hydrochloric Acid SCHEMBL8539915 0.80 TOP2B (0.40) TOP2BMEN1BLMKMT2ALMNA
Hydrochloric Acid SCHEMBL11041980 0.79 TOP2B (0.97) TOP2BMEN1BLMKMT2ALMNA

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-0639183-B1 NITROGEN OXIDES OF AZA- AND DIAZA-ANTHRACENEDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS BOEHRINGER MANNHEIM ITALIA (IT) 1998-07-01 EP disclosed
WO-1992015566-A1 NITROGEN OXIDES OF AZA- AND DIAZA-ANTHRACENEDIONE DERIVATIVES AS ANTITUMOR AGENTS BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1992-09-17 WO disclosed