SCHEMBL9503729

SCHEMBL9503729

CCOCCOCCOCCNCCNc1cccc2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2B Q02880 1/20 0.50
NSD2 O96028 3/20 0.48
FGB P02675 1/20 0.48
MMP14 P50281 1/20 0.48
MAPT P10636 6/20 0.47
MAPK1 P28482 5/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
POLB P06746 3/20 0.47
EGFR P00533 2/20 0.47
RAD52 P43351 2/20 0.47
BLM P54132 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.47
RAB9A P51151 3/20 0.47

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
SCHEMBL9504757 0.91 TOP2B (0.60) TOP2BNSD2FGBMMP14MAPT
SCHEMBL23787705 0.80 TERT (0.57) TOP2BNSD2FGBMMP14MAPT
SCHEMBL16343810 0.80 MEN1 (0.55) TOP2BNSD2FGBMMP14MAPT
SCHEMBL31616803 0.80 KMT2A (0.61) TOP2BNSD2FGBMMP14MAPT
SCHEMBL1903614 0.79 MAPT (0.56) TOP2BNSD2FGBMMP14MAPT
SCHEMBL7112285 0.78 KMT2A (0.62) TOP2BNSD2FGBMMP14MAPT
SCHEMBL3511311 0.78 TOP2B (0.81) TOP2BNSD2FGBMMP14MAPT
SCHEMBL29843940 0.78 TOP2B (0.81) TOP2BNSD2FGBMMP14MAPT
Hydrochloric Acid SCHEMBL9502000 0.78 TOP2B (0.71) TOP2BNSD2FGBMMP14MAPT
SCHEMBL10781791 0.77 MAPT (0.62) TOP2BNSD2FGBMMP14MAPT

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-0320960-B1 AMINO ANTHRACENEDIONES-BIS PLATINUM COMPLEXES, USEFUL AS ANTITUMORAL AGENTS BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1993-05-12 EP disclosed