SCHEMBL7699752

SCHEMBL7699752

COC1=C(N2CC2C)C(=O)c2cccnc2C1=O.O=C1C(N2CC2)=C(Cl)C(=O)c2ncccc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 15/20 0.50
CDC25B P30305 2/20 0.48
S100A4 P26447 3/20 0.45
ATG4B Q9Y4P1 2/20 0.43
HKDC1 Q2TB90 1/20 0.43
PADI1 Q9ULC6 1/20 0.43
PADI3 Q9ULW8 1/20 0.43
PADI4 Q9UM07 1/20 0.43
PADI2 Q9Y2J8 1/20 0.43
TDP2 O95551 1/20 0.43
PLA2G1B P04054 1/20 0.43

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
SCHEMBL7688745 0.89 S100A4 (0.52) NSD2CDC25BS100A4ATG4BHKDC1
SCHEMBL7694884 0.85 S100A4 (0.58) NSD2CDC25BS100A4TDP2
SCHEMBL7689709 0.84 S100A4 (0.56) NSD2CDC25BS100A4ATG4BHKDC1
SCHEMBL7694672 0.82 CDC25B (0.65) NSD2CDC25BS100A4ATG4BTDP2
SCHEMBL7700168 0.80 CDC25B (0.58) NSD2CDC25BS100A4TDP2
SCHEMBL7692908 0.80 CDC25B (0.71) NSD2CDC25BS100A4ATG4BTDP2
SCHEMBL7693731 0.80 CDC25B (0.66) NSD2CDC25BS100A4ATG4BTDP2
SCHEMBL17250406 0.79 NSD2 (0.68) NSD2CDC25BS100A4ATG4BTDP2
SCHEMBL7692775 0.77 CDC25B (0.67) NSD2CDC25BS100A4ATG4BTDP2
SCHEMBL3295164 0.76 S100A4 (0.59) NSD2CDC25BS100A4ATG4BTDP2

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-2002034742-A1 AZIRIDINYLQUINOLINEDIONE DERIVATIVES AND PROCESS FOR THEIR PREPARATION KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2002-05-02 WO disclosed