SCHEMBL7766945

SCHEMBL7766945

CC(C)(C)OC(=O)NCCNc1ccc(NCCNC(=O)OC(C)(C)C)c2c1C(=O)c1ccncc1C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.53
MUS81 Q96NY9 1/20 0.53
MALT1 Q9UDY8 1/20 0.51
LATS1 O95835 3/20 0.48
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
BCHE P06276 1/20 0.42
IDO1 P14902 1/20 0.41
CYP3A4 P08684 4/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
BLM P54132 4/20 0.40
TP53 P04637 3/20 0.40
MAPT P10636 3/20 0.40
CASP1 P29466 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CASP7 P55210 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CDK2 P24941 1/20 0.40

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
Maleic Acid SCHEMBL7772576 0.94 ECE1 (0.63) ECE1MUS81MALT1LATS1DDB1
Trifluoroacetic Acid SCHEMBL7772559 0.94 ECE1 (0.50) ECE1MUS81MALT1LATS1DDB1
SCHEMBL9195262 0.88 MALT1 (0.52) ECE1MUS81MALT1LATS1DDB1
SCHEMBL8788929 0.83 ECE1 (0.58) ECE1MUS81CYP3A4BLMTP53
SCHEMBL7804755 0.82 TOP2A (0.44) ECE1MUS81MALT1LATS1DDB1
SCHEMBL7816796 0.82 TOP2A (0.44) ECE1MUS81MALT1LATS1DDB1
SCHEMBL9192525 0.81 STK17B (0.48) MALT1DDB1CRBNCYP3A4BLM
SCHEMBL9528225 0.81 MALT1 (0.46) ECE1MUS81MALT1LATS1DDB1
SCHEMBL8788332 0.81 ECE1 (0.50) ECE1MUS81MALT1CYP3A4BLM
SCHEMBL9200110 0.81 MALT1 (0.48) ECE1MUS81MALT1LATS1DDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0752857-B1 AN IMPROVED METHOD OF SYNTHESIS FOR 6,9-BIS (2-AMINOETHYL)AMINO]BENZO g]ISOQUINOLINE-5,10-DIONE AND ITS DIMALEATE SALT NOVUSPHARMA SPA (IT) 2001-07-25 EP claimed
EP-0752857-A1 AN IMPROVED METHOD OF SYNTHESIS FOR 6,9-BIS (2-AMINOETHYL)AMINO]BENZO g]ISOQUINOLINE-5,10-DIONE AND ITS DIMALEATE SALT BOEHRINGER MANNHEIM ITALIA S.p.A. (IT) 1997-01-15 EP claimed
WO-1995026189-A1 AN IMPROVED METHOD OF SYNTHESIS FOR 6,9-BIS[(2-AMINOETHYL)AMINO]BENZO[g]ISOQUINOLINE-5,10-DIONE AND ITS DIMALEATE SALT BOEHRINGER MANNHEIM ITALIA, S.P.A. (US) 1995-10-05 WO claimed
EP-0752857-B1 AN IMPROVED METHOD OF SYNTHESIS FOR 6,9-BIS (2-AMINOETHYL)AMINO]BENZO g]ISOQUINOLINE-5,10-DIONE AND ITS DIMALEATE SALT NOVUSPHARMA SPA (IT) 2001-07-25 EP disclosed
EP-0503537-B1 6,9 Bis(substituted-amino)benzo-[g]isoquinoline-5,10-diones UNIV VERMONT (US) 1997-05-14 EP disclosed
US-5616709-A Method of synthesis for 6,9-bis[(2-aminoethyl)amino]benzo[g]isoquinoline-5,10-dione and its dimaleate salt BOEHRINGER MANNHEIM GMBH (IT) 1997-04-01 US disclosed
EP-0752857-A1 AN IMPROVED METHOD OF SYNTHESIS FOR 6,9-BIS (2-AMINOETHYL)AMINO]BENZO g]ISOQUINOLINE-5,10-DIONE AND ITS DIMALEATE SALT BOEHRINGER MANNHEIM ITALIA S.p.A. (IT) 1997-01-15 EP disclosed
US-5506232-A 6,9-bis[(2-aminoethyl)amino]benzo[g]isoquinoline-5,10-dione and its dimaleate salt BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1996-04-09 US disclosed
WO-1995026189-A1 AN IMPROVED METHOD OF SYNTHESIS FOR 6,9-BIS[(2-AMINOETHYL)AMINO]BENZO[g]ISOQUINOLINE-5,10-DIONE AND ITS DIMALEATE SALT BOEHRINGER MANNHEIM ITALIA, S.P.A. (US) 1995-10-05 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