SCHEMBL8544762

SCHEMBL8544762

CN(CCNc1ccc(NCCN(C)C(N)=O)c2c1C(=O)c1cc[n+]([O-])cc1C2=O)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2B Q02880 4/20 0.42
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.40
BLM P54132 2/20 0.40
KMT2A Q03164 2/20 0.40
NSD2 O96028 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ECE1 P42892 1/20 0.36
MUS81 Q96NY9 1/20 0.36
NPC1 O15118 1/20 0.35
MTOR P42345 1/20 0.35
RAB9A P51151 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
TERT O14746 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
BRCA1 P38398 1/20 0.33
HIF1A Q16665 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EGFR P00533 1/20 0.33
LMNA P02545 1/20 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
SCHEMBL8542449 0.86 TOP2B (0.49) TOP2BMEN1POLBBLMKMT2A
Hydrochloric Acid SCHEMBL8545200 0.84 TOP2B (0.48) TOP2BMEN1POLBBLMKMT2A
SCHEMBL8547413 0.83 MEN1 (0.44) TOP2BMEN1POLBBLMKMT2A
SCHEMBL8542305 0.82 TERT (0.45) TOP2BMEN1POLBBLMKMT2A
SCHEMBL8544036 0.79 TOP2B (0.54) TOP2BMEN1POLBBLMKMT2A
SCHEMBL8540388 0.79 ECE1 (0.45) TOP2BMEN1POLBBLMKMT2A
SCHEMBL9197459 0.78 ECE1 (0.42) TOP2BMEN1POLBBLMKMT2A
SCHEMBL8544126 0.77 CYP19A1 (0.54) TOP2BMEN1POLBBLMKMT2A
SCHEMBL8539070 0.77 TOP2B (0.42) TOP2BMEN1POLBBLMKMT2A
SCHEMBL8544765 0.77 KMT2A (0.41) TOP2BMEN1POLBBLMKMT2A

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