SCHEMBL8544301

SCHEMBL8544301

NCCNc1ccc(NCCN)c2c1C(=O)c1ccc[n+]([O-])c1C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
BLM P54132 4/20 0.43
KMT2A Q03164 4/20 0.43
NSD2 O96028 3/20 0.43
POLB P06746 3/20 0.43
RXFP1 Q9HBX9 1/20 0.43
TOP2B Q02880 1/20 0.42
NPC1 O15118 2/20 0.40
MTOR P42345 2/20 0.40
RAB9A P51151 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
ECE1 P42892 1/20 0.38
MUS81 Q96NY9 1/20 0.38
FGB P02675 1/20 0.35
MMP14 P50281 1/20 0.35
RECQL P46063 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 3/20 0.34

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
SCHEMBL8545518 0.92 TOP2B (0.43) MEN1BLMKMT2ANSD2POLB
SCHEMBL8541343 0.86 ECE1 (0.38) MEN1BLMKMT2ANSD2POLB
SCHEMBL8545090 0.84 MALT1 (0.44) MEN1BLMKMT2ANSD2POLB
SCHEMBL8544790 0.82 TOP2B (0.67) MEN1BLMKMT2ANSD2POLB
SCHEMBL4198607 0.79 MEN1 (0.63) MEN1BLMKMT2ANSD2POLB
SCHEMBL29886736 0.79 MEN1 (0.63) MEN1BLMKMT2ANSD2POLB
SCHEMBL8545624 0.76 ECE1 (0.37) MEN1BLMKMT2ANSD2POLB
SCHEMBL8540388 0.75 ECE1 (0.45) MEN1BLMKMT2ANSD2POLB
SCHEMBL4202380 0.74 CYP19A1 (0.50) MEN1BLMKMT2ANSD2POLB
SCHEMBL8543916 0.73 MAPK14 (0.34) CA7CA9

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 3 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
EP-0639183-A1 NITROGEN OXIDES OF AZA- AND DIAZA-ANTHRACENEDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1995-02-22 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