SCHEMBL5266744

SCHEMBL5266744

O=c1cc(-c2ccc(O)c(O)c2)oc2nccnc12.O=c1cc(-c2ccc(O)cc2)oc2ncc(O)nc12.O=c1cc(-c2ccc(O)cc2O)oc2nccnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLH Q9Y253 5/20 0.42
TNKS O95271 4/20 0.42
PARP1 P09874 4/20 0.42
TNKS2 Q9H2K2 4/20 0.42
ALOX5 P09917 4/20 0.42
CYP3A4 P08684 7/20 0.39
KDM4E B2RXH2 6/20 0.39
HPGD P15428 6/20 0.39
IP6K2 Q9UHH9 6/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 5/20 0.39
ALOX15 P16050 5/20 0.39
HSD17B10 Q99714 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
CYP2C9 P11712 4/20 0.39
CYP2C19 P33261 4/20 0.39
THRB P10828 4/20 0.39
ALDH1A1 P00352 4/20 0.39
BACE1 P56817 3/20 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
SCHEMBL311672 0.82 CYP3A4 (0.46) POLHTNKSPARP1TNKS2CYP3A4
SCHEMBL312346 0.81 BACE1 (0.51) POLHTNKSPARP1TNKS2CYP3A4
SCHEMBL312234 0.81 POLH (0.50) POLHTNKSPARP1TNKS2ALOX5
SCHEMBL311589 0.78 CYP3A4 (0.49) POLHTNKSPARP1TNKS2CYP3A4
SCHEMBL312658 0.75 CYP3A4 (0.46) POLHTNKSPARP1TNKS2CYP3A4
SCHEMBL5266563 0.72 PARP1 (0.40) POLHTNKSPARP1TNKS2ALOX5
SCHEMBL5265130 0.72 ALOX5 (0.40) POLHTNKSPARP1TNKS2ALOX5
SCHEMBL312179 0.65 MAOB (0.39) KDM4EHPGDHSD17B10SMN1; SMN2CYP2C9
SCHEMBL312751 0.65 MAPT (0.59) POLHTNKSPARP1TNKS2ALOX5
SCHEMBL311921 0.65 CYP3A4 (0.62) TNKSCYP3A4KDM4EHPGDMEN1

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-1838296-A2 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2007-10-03 EP disclosed
WO-2006045096-A2 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2006-04-27 WO disclosed