SCHEMBL5266563

SCHEMBL5266563

O=c1cc(-c2ccc(O)c(O)c2)oc2cccnc12.O=c1cc(-c2ccc(O)cc2)oc2c(O)ccnc12.O=c1cc(-c2ccc(O)cc2)oc2cc(O)cnc12.O=c1cc(-c2ccc(O)cc2)oc2ccc(O)nc12.O=c1cc(-c2ccc(O)cc2O)oc2cccnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.40
POLH Q9Y253 5/20 0.40
ALOX5 P09917 4/20 0.40
TNKS O95271 4/20 0.40
TNKS2 Q9H2K2 4/20 0.40
PDE4D Q08499 2/20 0.39
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
TDP1 Q9NUW8 4/20 0.38
THRB P10828 4/20 0.38
CYP3A4 P08684 8/20 0.38
HPGD P15428 7/20 0.38
KDM4E B2RXH2 6/20 0.38
MAPT P10636 6/20 0.38
IP6K2 Q9UHH9 6/20 0.38
ALOX15 P16050 5/20 0.38
HSD17B10 Q99714 5/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
CYP2C9 P11712 4/20 0.38
CYP2C19 P33261 4/20 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
SCHEMBL313143 0.74 MEN1 (0.62) POLHPDE4DMEN1KMT2ACYP3A4
SCHEMBL311509 0.74 POLH (0.62) PARP1POLHALOX5TNKSTNKS2
SCHEMBL312444 0.72 CDK5 (0.54) PARP1POLHTNKSTNKS2MEN1
SCHEMBL311223 0.72 KDM4E (0.60) PARP1POLHTNKSTNKS2MEN1
SCHEMBL5266744 0.72 POLH (0.42) PARP1POLHALOX5TNKSTNKS2
SCHEMBL312151 0.71 CYP3A4 (0.59) PARP1POLHTNKSTNKS2MEN1
SCHEMBL312113 0.71 CYP3A4 (0.59) PARP1POLHALOX5TNKSTNKS2
SCHEMBL5265130 0.71 ALOX5 (0.40) PARP1POLHALOX5TNKSTNKS2
SCHEMBL312584 0.64 KDM4E (0.49) PARP1POLHALOX5TNKSTNKS2
SCHEMBL5264726 0.64 PARP1 (0.43) PARP1POLHALOX5TNKSTNKS2

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