SCHEMBL7207025

SCHEMBL7207025

O=C1c2ccccc2C(=O)c2c(NCCNCCO)nnc(NCCNCCO)c21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2B Q02880 1/20 0.68
NSD2 O96028 3/20 0.50
FGB P02675 1/20 0.50
MMP14 P50281 1/20 0.50
NQO1 P15559 1/20 0.49
MAPK1 P28482 5/20 0.46
LMNA P02545 5/20 0.46
MEN1 O00255 4/20 0.46
BLM P54132 4/20 0.46
KMT2A Q03164 4/20 0.46
HTT P42858 4/20 0.46
RECQL P46063 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
USP2 O75604 2/20 0.46
TP53 P04637 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
EGFR P00533 2/20 0.46
TOP2A P11388 2/20 0.46
NPC1 O15118 2/20 0.46
MTOR P42345 2/20 0.46

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
Hydrochloric Acid SCHEMBL9205570 0.98 TOP2B (0.67) TOP2BNSD2FGBMMP14NQO1
SCHEMBL9208748 0.92 TOP2B (0.59) TOP2BNSD2FGBMMP14NQO1
Hydrochloric Acid SCHEMBL9198168 0.91 TOP2B (0.58) TOP2BNSD2FGBMMP14NQO1
SCHEMBL9207090 0.84 HTT (0.55) TOP2BNSD2FGBMMP14NQO1
Hydrochloric Acid SCHEMBL9205298 0.83 HTT (0.54) TOP2BNSD2FGBMMP14NQO1
Ametantrone SCHEMBL3344151 0.81 TOP2B (1.00) TOP2BNSD2FGBMMP14NQO1
Ametantrone SCHEMBL29723071 0.81 TOP2B (1.00) TOP2BNSD2FGBMMP14NQO1
SCHEMBL9210182 0.81 TOP1 (0.52) TOP2BMAPK1MEN1BLMKMT2A
Hydrochloric Acid SCHEMBL11041980 0.80 TOP2B (0.97) TOP2BNSD2FGBMMP14NQO1
SCHEMBL3746887 0.79 TOP2B (0.56) TOP2BNSD2FGBMMP14NQO1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0710689-B1 Polymeric antitumor agents WYETH CORP (US) 2003-05-02 EP disclosed
US-5609867-A POLYAMIDES FROM DIAMINE MONOMERS CONTAINING ANTHRAQUINONE, ANTHRAPYRAZOLE, AZA-ANTHRAQUINONE, AND DIAZA-ANTHRAQUINONE RINGS AMERICAN CYANAMID COMPANY (US) 1997-03-11 US disclosed
EP-0710689-A2 Polymeric antitumor agents American Cyanamid Company (US) 1996-05-08 EP disclosed
EP-0497809-B1 1,4-BIS(ALKYLAMINO)-2,3-DIAZA-ANTHRACENE-9,10-DIONES BOEHRINGER MANNHEIM ITALIA (IT) 1995-06-28 EP disclosed
US-5162320-A 1,4-BIS(ALKYLAMINO)-2,3-DIAZA-ANTHRACENE-9,10-DIONES BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1992-11-10 US disclosed
EP-0497809-A1 1,4-BIS(ALKYLAMINO)-2,3-DIAZA-ANTHRACENE-9,10-DIONES. BOEHRINGER MANNHEIM ITALIA (IT) 1992-08-12 EP disclosed
WO-1991006540-A1 1,4-BIS(ALKYLAMINO)-2,3-DIAZA-ANTHRACENE-9,10-DIONES BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1991-05-16 WO disclosed