SCHEMBL8540388

SCHEMBL8540388

NCCNc1ccc(NCCN)c2c1C(=O)c1cc[n+]([O-])cc1C2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.45
MUS81 Q96NY9 1/20 0.45
MEN1 O00255 4/20 0.41
BLM P54132 4/20 0.41
KMT2A Q03164 4/20 0.41
NSD2 O96028 3/20 0.41
POLB P06746 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TOP2B Q02880 3/20 0.40
NPC1 O15118 2/20 0.39
MTOR P42345 2/20 0.39
RAB9A P51151 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
P2RY4 P51582 4/20 0.34
CYP19A1 P11511 1/20 0.33
LMNA P02545 3/20 0.32
MAPK1 P28482 3/20 0.32
RECQL P46063 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
USP2 O75604 2/20 0.32

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
SCHEMBL8539070 0.92 TOP2B (0.42) ECE1MUS81MEN1BLMKMT2A
SCHEMBL8547001 0.91 TOP2B (0.41) ECE1MUS81MEN1BLMKMT2A
Hydrochloric Acid SCHEMBL8539915 0.89 TOP2B (0.40) ECE1MUS81MEN1BLMKMT2A
SCHEMBL8544036 0.86 TOP2B (0.54) ECE1MUS81MEN1BLMKMT2A
SCHEMBL8544126 0.83 CYP19A1 (0.54) MEN1BLMKMT2ANSD2POLB
SCHEMBL13524776 0.83 ECE1 (0.50) ECE1MUS81MEN1BLMKMT2A
SCHEMBL8542449 0.82 TOP2B (0.49) MEN1BLMKMT2ANSD2POLB
SCHEMBL8541343 0.82 ECE1 (0.38) ECE1MUS81MEN1BLMKMT2A
SCHEMBL8540909 0.81 TOP2B (0.67) ECE1MUS81MEN1BLMKMT2A
SCHEMBL8544304 0.81 NSD2 (0.38) MEN1BLMKMT2ANSD2POLB

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-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 claimed
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 claimed
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