SCHEMBL8789366

SCHEMBL8789366

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.52
MUS81 Q96NY9 1/20 0.52
BLM P54132 6/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
MAPT P10636 6/20 0.47
TP53 P04637 4/20 0.47
CYP3A4 P08684 3/20 0.47
CASP1 P29466 2/20 0.47
CASP7 P55210 2/20 0.47
TOP2B Q02880 1/20 0.46
LATS1 O95835 2/20 0.42
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
NSD2 O96028 3/20 0.41
POLB P06746 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CYP19A1 P11511 1/20 0.39
CDC25B P30305 1/20 0.39

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 0.86 BLM (0.61) ECE1MUS81BLMSMN1; SMN2MAPT
SCHEMBL8426997 0.84 TOP2B (0.64) BLMSMN1; SMN2MAPTTP53CYP3A4
SCHEMBL27294872 0.82 TOP2B (0.62) BLMSMN1; SMN2MAPTTP53CYP3A4
SCHEMBL8788385 0.82 TOP2B (0.70) ECE1MUS81BLMSMN1; SMN2MAPT
SCHEMBL8789190 0.80 ECE1 (0.52) ECE1MUS81BLMSMN1; SMN2MAPT
Pixantrone SCHEMBL7825 0.78 ECE1 (0.72) ECE1MUS81BLMSMN1; SMN2MAPT
Pixantrone SCHEMBL29372192 0.78 ECE1 (0.72) ECE1MUS81BLMSMN1; SMN2MAPT
SCHEMBL8429091 0.78 TOP2B (0.57) BLMSMN1; SMN2MAPTTP53CYP3A4
SCHEMBL20334359 0.78 TOP2B (0.57) BLMSMN1; SMN2MAPTTP53CYP3A4
Pixantrone SCHEMBL7771183 0.77 ECE1 (0.70) ECE1MUS81BLMSMN1; SMN2MAPT

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 5 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-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