SCHEMBL7003679

SCHEMBL7003679

O=C1C=CCC2=C1C(=O)c1ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
CDC25B P30305 3/20 0.46
MAPT P10636 7/20 0.39
MAOA P21397 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
LMNA P02545 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 3/20 0.39
PTPRC P08575 3/20 0.39
MAPK1 P28482 3/20 0.39
APAF1 O14727 2/20 0.39
TDP2 O95551 2/20 0.39
BCHE P06276 2/20 0.39
POLB P06746 2/20 0.39
THRB P10828 2/20 0.39
CES1 P23141 2/20 0.39
S100A4 P26447 2/20 0.39
RECQL P46063 2/20 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
SCHEMBL737866 0.88 MAOA (0.41) MEN1KMT2ACDC25BMAPTMAOA
SCHEMBL787044 0.72 CDC25B (0.55) MEN1KMT2ACDC25BMAPTMAOA
SCHEMBL11882418 0.71 MEN1 (0.55) MEN1KMT2ACDC25BMAPTMAOA
SCHEMBL2385124 0.69
SCHEMBL5494021 0.69 CDC25B (0.41) MEN1KMT2ACDC25BMAPTMAOA
SCHEMBL1501865 0.69 CDC25B (0.41) MEN1KMT2ACDC25BMAPTMAOA
SCHEMBL14003716 0.68 CDC25B (0.73) MEN1KMT2ACDC25BMAPTMAOA
SCHEMBL5393525 0.68
Anthraquinone SCHEMBL29358690 0.68 MEN1 (1.00) MEN1KMT2ACDC25BMAPTMAOA
Anthraquinone SCHEMBL1901249 0.68 MEN1 (1.00) MEN1KMT2ACDC25BMAPTMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313736-A2 CONDENSED PYRAZINDIONE DERIVATIVES Lilly Icos LLC (US) 2003-05-28 EP disclosed
WO-2002000657-A2 CONDENSED PYRAZINDIONE DERIVATIVES LILLY ICOS LLC (US) 2002-01-03 WO disclosed