SCHEMBL8544790

SCHEMBL8544790

O=C1c2ccc[n+]([O-])c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2B Q02880 1/20 0.67
MEN1 O00255 4/20 0.53
BLM P54132 4/20 0.53
KMT2A Q03164 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
NSD2 O96028 3/20 0.53
LMNA P02545 3/20 0.53
MAPK1 P28482 3/20 0.53
RECQL P46063 3/20 0.53
HTT P42858 3/20 0.53
USP2 O75604 2/20 0.53
TP53 P04637 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
TOP2A P11388 2/20 0.53
NPC1 O15118 2/20 0.53
MTOR P42345 2/20 0.53
RAB9A P51151 2/20 0.53
EGFR P00533 2/20 0.53
CSNK2A1 P68400 2/20 0.53
HIF1A Q16665 2/20 0.53

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
SCHEMBL8544622 0.87 KMT2A (0.61) TOP2BMEN1BLMKMT2ASMN1; SMN2
SCHEMBL8545518 0.82 TOP2B (0.43) TOP2BMEN1BLMKMT2ASMN1; SMN2
SCHEMBL8544301 0.82 MEN1 (0.43) TOP2BMEN1BLMKMT2ASMN1; SMN2
Ametantrone SCHEMBL3344151 0.81 TOP2B (1.00) TOP2BMEN1BLMKMT2ASMN1; SMN2
Ametantrone SCHEMBL29723071 0.81 TOP2B (1.00) TOP2BMEN1BLMKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL11041980 0.80 TOP2B (0.97) TOP2BMEN1BLMKMT2ASMN1; SMN2
SCHEMBL8545090 0.80 MALT1 (0.44) TOP2BMEN1BLMKMT2ASMN1; SMN2
SCHEMBL8543297 0.79 MEN1 (0.51) TOP2BMEN1BLMKMT2ASMN1; SMN2
SCHEMBL8540909 0.78 TOP2B (0.67) TOP2BMEN1BLMKMT2ASMN1; SMN2
SCHEMBL18567079 0.76 TOP2B (0.86) TOP2BMEN1BLMKMT2ASMN1; SMN2

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