SCHEMBL9501985

SCHEMBL9501985

CCOCCOCCOCCNCCNc1ccc(NCCNCCOCCOCCOCC)c2c1C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 3/20 0.63
MAPK1 P28482 3/20 0.63
TDP1 Q9NUW8 3/20 0.63
MEN1 O00255 3/20 0.63
BLM P54132 3/20 0.63
KMT2A Q03164 3/20 0.63
LMNA P02545 3/20 0.63
NSD2 O96028 3/20 0.63
USP2 O75604 2/20 0.63
TP53 P04637 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
TOP2A P11388 2/20 0.63
NPC1 O15118 2/20 0.63
MTOR P42345 2/20 0.63
RAB9A P51151 2/20 0.63
CSNK2A2 P19784 2/20 0.63
CSNK2B P67870 2/20 0.63
CSNK2A1 P68400 2/20 0.63
CSNK2A3 Q8NEV1 2/20 0.63
SLC22A2 O15244 1/20 0.63

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 SCHEMBL9502052 0.99 RECQL (0.64) RECQLMAPK1TDP1MEN1BLM
SCHEMBL9679834 0.88 MEN1 (0.49) RECQLMAPK1TDP1MEN1BLM
Hydrochloric Acid SCHEMBL9680102 0.87 MEN1 (0.50) RECQLMAPK1TDP1MEN1BLM
Hydrochloric Acid SCHEMBL9501080 0.87 KMT2A (0.73) RECQLMAPK1TDP1MEN1BLM
Mitoxantrone SCHEMBL3463074 0.86 MEN1 (0.82) RECQLMAPK1TDP1MEN1BLM
SCHEMBL10976132 0.84 MEN1 (0.69) RECQLMAPK1TDP1MEN1BLM
SCHEMBL9504757 0.83 TOP2B (0.60) RECQLMAPK1TDP1MEN1BLM
SCHEMBL10633317 0.82 MEN1 (0.75) RECQLMAPK1TDP1MEN1BLM
SCHEMBL11275434 0.79 MEN1 (0.75) RECQLMAPK1TDP1MEN1BLM
SCHEMBL11041318 0.79 MEN1 (0.75) RECQLMAPK1TDP1MEN1BLM

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 4 patents. 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
EP-0396588-A1 AMINO ANTHRACENEDIONES-BIS PLATINUM COMPLEXES, USEFUL AS ANTITUMORAL AGENTS BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1990-11-14 EP disclosed
WO-1989005815-A1 AMINO ANTHRACENEDIONES-BIS PLATINUM COMPLEXES, USEFUL AS ANTITUMORAL AGENTS BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1989-06-29 WO disclosed
EP-0320960-A1 Amino anthracenediones-bis platinum complexes, useful as antitumoral agents BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1989-06-21 EP disclosed