SCHEMBL9197459

SCHEMBL9197459

CN(CCNc1ccc(NCCN(C)C(N)=O)c2c1C(=O)c1cnncc1C2=O)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.42
MUS81 Q96NY9 1/20 0.42
MEN1 O00255 4/20 0.42
BLM P54132 4/20 0.42
KMT2A Q03164 4/20 0.42
POLB P06746 3/20 0.42
NSD2 O96028 3/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TOP2B Q02880 4/20 0.40
NPC1 O15118 2/20 0.36
MTOR P42345 2/20 0.36
RAB9A P51151 2/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.34
HIF1A Q16665 2/20 0.34
BRCA1 P38398 1/20 0.34
TERT O14746 3/20 0.34
CYP19A1 P11511 1/20 0.34
LMNA P02545 3/20 0.34
MAPK1 P28482 3/20 0.34

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
SCHEMBL9197796 0.83 TOP2B (0.46) ECE1MUS81MEN1BLMKMT2A
Hydrochloric Acid SCHEMBL9200372 0.82 TOP2B (0.46) ECE1MUS81MEN1BLMKMT2A
SCHEMBL9195997 0.80 MEN1 (0.47) ECE1MUS81MEN1BLMKMT2A
SCHEMBL9197269 0.80 ECE1 (0.48) ECE1MUS81MEN1BLMKMT2A
Hydrochloric Acid SCHEMBL9197780 0.79 ECE1 (0.47) ECE1MUS81MEN1BLMKMT2A
SCHEMBL9195948 0.79 NQO1 (0.50) ECE1MUS81MEN1BLMKMT2A
SCHEMBL8544762 0.78 TOP2B (0.42) ECE1MUS81MEN1BLMKMT2A
SCHEMBL9200709 0.78 TERT (0.49) ECE1MUS81MEN1BLMKMT2A
SCHEMBL9196125 0.78 SMN1; SMN2 (0.51) ECE1MUS81MEN1BLMKMT2A
SCHEMBL9200579 0.76 TOP2B (0.60) ECE1MUS81MEN1BLMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0574433-B1 6,9-BIS(AMINO SUBSTITUTED)BENZO g]PHTHALAZINE-5,10-DIONES AS ANTITUMOR AGENTS BOEHRINGER MANNHEIM ITALIA (IT) 1995-05-31 EP disclosed