SCHEMBL8544765

SCHEMBL8544765

CNC(=O)NCCNc1ccc(NCCNC(=O)NC)c2c1C(=O)c1cc[n+]([O-])cc1C2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
BLM P54132 3/20 0.41
NSD2 O96028 2/20 0.41
POLB P06746 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TOP2B Q02880 4/20 0.40
NPC1 O15118 2/20 0.36
MTOR P42345 2/20 0.36
RAB9A P51151 2/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
ECE1 P42892 1/20 0.35
MUS81 Q96NY9 1/20 0.35
USP2 O75604 2/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 2/20 0.33
MAPK1 P28482 2/20 0.33
RECQL P46063 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 2/20 0.33

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
SCHEMBL8547415 0.84 MEN1 (0.46) KMT2AMEN1BLMNSD2POLB
SCHEMBL8544036 0.81 TOP2B (0.54) KMT2AMEN1BLMNSD2POLB
SCHEMBL8540909 0.79 TOP2B (0.67) KMT2AMEN1BLMNSD2POLB
SCHEMBL8544126 0.79 CYP19A1 (0.54) KMT2AMEN1BLMNSD2POLB
SCHEMBL8539070 0.79 TOP2B (0.42) KMT2AMEN1BLMNSD2POLB
SCHEMBL8540388 0.78 ECE1 (0.45) KMT2AMEN1BLMNSD2POLB
SCHEMBL8542449 0.78 TOP2B (0.49) KMT2AMEN1BLMNSD2POLB
SCHEMBL8547001 0.78 TOP2B (0.41) KMT2AMEN1BLMNSD2POLB
SCHEMBL9197474 0.77 KMT2A (0.43) KMT2AMEN1BLMNSD2POLB
SCHEMBL8544762 0.77 TOP2B (0.42) KMT2AMEN1BLMNSD2POLB

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 1 patent. 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