SCHEMBL8544622

SCHEMBL8544622

O=C1c2c(NCCNCCO)ccc(NCCNCCO)c2C(=O)c2c1[n+]([O-])cc[n+]2[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.61
BLM P54132 4/20 0.61
LMNA P02545 3/20 0.61
MAPK1 P28482 3/20 0.61
RECQL P46063 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
TDP1 Q9NUW8 3/20 0.61
NSD2 O96028 3/20 0.61
USP2 O75604 2/20 0.61
TP53 P04637 2/20 0.61
TOP2A P11388 2/20 0.61
NPC1 O15118 2/20 0.61
EGFR P00533 2/20 0.61
MTOR P42345 2/20 0.61
HTT P42858 2/20 0.61
RAB9A P51151 2/20 0.61
CSNK2A1 P68400 2/20 0.61
SLC22A2 O15244 1/20 0.61
SLC22A1 O15245 1/20 0.61

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
SCHEMBL8544790 0.87 TOP2B (0.67) KMT2AMEN1BLMLMNAMAPK1
SCHEMBL8543297 0.85 MEN1 (0.51) KMT2AMEN1BLMLMNAMAPK1
SCHEMBL8540909 0.84 TOP2B (0.67) KMT2AMEN1BLMLMNAMAPK1
SCHEMBL8541343 0.79 ECE1 (0.38) KMT2AMEN1BLMLMNAMAPK1
SCHEMBL8546215 0.77 TOP2B (0.43) KMT2AMEN1BLMSMN1; SMN2NSD2
SCHEMBL11391594 0.76 MEN1 (1.00) KMT2AMEN1BLMLMNAMAPK1
Mitoxantrone SCHEMBL20214110 0.76 MEN1 (1.00) KMT2AMEN1BLMLMNAMAPK1
SCHEMBL11036806 0.76 MEN1 (1.00) KMT2AMEN1BLMLMNAMAPK1
SCHEMBL11041207 0.76 MEN1 (1.00) KMT2AMEN1BLMLMNAMAPK1
SCHEMBL11517949 0.76 MEN1 (1.00) KMT2AMEN1BLMLMNAMAPK1

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