SCHEMBL9110128

SCHEMBL9110128

O=C1Nc2cccc(C(=O)C(=O)c3cccc4c3C(=O)C(=O)N4)c2C1=O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.56
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
LIG1 P18858 1/20 0.43
TGM2 P21980 10/20 0.41
CASP3 P42574 3/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
DUSP3 P51452 1/20 0.38
BLM P54132 1/20 0.38
PTPN5 P54829 1/20 0.38
KMT2A Q03164 1/20 0.38
PTPN11 Q06124 1/20 0.38
MCL1 Q07820 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4625089 0.87 CES1 (0.55) CES1MAOAMAOBLIG1TGM2
SCHEMBL5893941 0.85 CES1 (0.53) CES1MAOAMAOBLIG1TGM2
SCHEMBL3737913 0.81 GSK3B (0.49) CES1TGM2CASP3MEN1POLB
SCHEMBL6658776 0.73 AURKA (0.53) CES1TGM2MAPT
SCHEMBL2838571 0.72 CES1 (0.60) CES1MAOAMAOBTGM2CASP3
SCHEMBL5975593 0.72 CES1 (0.60) CES1MAOAMAOBTGM2MEN1
SCHEMBL281203 0.72 CES1 (0.60) CES1MAOAMAOBTGM2MEN1
SCHEMBL30716604 0.72 CES1 (1.00) CES1MAOAMAOBTGM2
SCHEMBL2136384 0.72 CES1 (0.60) CES1MAOAMAOBPOLB
SCHEMBL4242823 0.72 CES1 (0.60) CES1MAOAMAOBTGM2MEN1

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
WO-1995009193-A1 POLYMERS FORMED FROM BIS (2,3-DIHYDROINDOLE-2,3-DIONE) COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1995-04-06 WO disclosed