SCHEMBL8788385

SCHEMBL8788385

O=C1c2ccncc2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2B Q02880 1/20 0.70
BLM P54132 7/20 0.58
SMN1; SMN2 Q16637 6/20 0.58
TP53 P04637 5/20 0.58
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
MAPK1 P28482 4/20 0.58
CYP3A4 P08684 4/20 0.58
LMNA P02545 3/20 0.58
RECQL P46063 3/20 0.58
NSD2 O96028 3/20 0.58
USP2 O75604 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
TOP2A P11388 2/20 0.58
NPC1 O15118 2/20 0.58
MTOR P42345 2/20 0.58
RAB9A P51151 2/20 0.58
EGFR P00533 2/20 0.58
HTT P42858 2/20 0.58
SLC22A2 O15244 1/20 0.58

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
SCHEMBL8788420 0.92 BLM (0.61) TOP2BBLMSMN1; SMN2TP53MEN1
Mitoxantrone SCHEMBL20597027 0.88 BLM (0.65) TOP2BBLMSMN1; SMN2TP53MEN1
SCHEMBL8788424 0.86 ECE1 (0.63) TOP2BBLMSMN1; SMN2TP53MEN1
SCHEMBL9193858 0.86 TOP2B (0.73) TOP2BBLMSMN1; SMN2TP53MEN1
SCHEMBL8789454 0.85 ECE1 (0.58) TOP2BBLMSMN1; SMN2TP53MEN1
SCHEMBL8791572 0.83 ECE1 (0.51) TOP2BBLMSMN1; SMN2TP53MEN1
Ametantrone SCHEMBL3344151 0.83 TOP2B (1.00) TOP2BBLMSMN1; SMN2TP53MEN1
Ametantrone SCHEMBL29723071 0.83 TOP2B (1.00) TOP2BBLMSMN1; SMN2TP53MEN1
SCHEMBL8788938 0.82 ECE1 (0.57) TOP2BBLMSMN1; SMN2TP53MEN1
SCHEMBL8789366 0.82 ECE1 (0.52) TOP2BBLMSMN1; SMN2TP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0503537-B1 6,9 Bis(substituted-amino)benzo-[g]isoquinoline-5,10-diones UNIV VERMONT (US) 1997-05-14 EP claimed
EP-0575526-A1 6,9 BIS(SUBSTITUTED-AMINO)BENZO g]ISOQUINOLINE-5,10-DIONES THE UNIVERSITY OF VERMONT (US) 1993-12-29 EP claimed
WO-1992015300-A1 6,9 BIS(SUBSTITUTED-AMINO)BENZO[g]ISOQUINOLINE-5,10-DIONES THE UNIVERSITY OF VERMONT (US) 1992-09-17 WO claimed
EP-0503537-A1 6,9 Bis(substituted-amino)benzo-[g]isoquinoline-5,10-diones THE UNIVERSITY OF VERMONT (US) 1992-09-16 EP claimed
EP-0503537-B1 6,9 Bis(substituted-amino)benzo-[g]isoquinoline-5,10-diones UNIV VERMONT (US) 1997-05-14 EP disclosed
EP-0575526-A1 6,9 BIS(SUBSTITUTED-AMINO)BENZO g]ISOQUINOLINE-5,10-DIONES THE UNIVERSITY OF VERMONT (US) 1993-12-29 EP disclosed
WO-1992015300-A1 6,9 BIS(SUBSTITUTED-AMINO)BENZO[g]ISOQUINOLINE-5,10-DIONES THE UNIVERSITY OF VERMONT (US) 1992-09-17 WO disclosed
EP-0503537-A1 6,9 Bis(substituted-amino)benzo-[g]isoquinoline-5,10-diones THE UNIVERSITY OF VERMONT (US) 1992-09-16 EP disclosed