SCHEMBL311355

SCHEMBL311355

CCOC(=O)Nc1nc(O)ccc1-c1cc(=O)c2ccc(O)cc2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.51
HPGD P15428 6/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 2/20 0.46
ALOX15 P16050 1/20 0.46
KDM4E B2RXH2 4/20 0.45
HSD17B10 Q99714 3/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 4/20 0.44
QPCT Q16769 3/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP19A1 P11511 2/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
MPO P05164 1/20 0.44
MAPK1 P28482 1/20 0.44
IP6K2 Q9UHH9 1/20 0.44
CYP2C9 P11712 3/20 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
SCHEMBL312214 0.92 HPGD (0.47) AKR1B1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL312401 0.89 KDM4E (0.59) HPGDMEN1KMT2ASMN1; SMN2TP53
SCHEMBL312223 0.84 AKR1B1 (0.56) AKR1B1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL311987 0.82 ATM (0.50) HPGDMEN1KMT2ASMN1; SMN2ALOX15
SCHEMBL311535 0.81 HPGD (0.44) HPGDMEN1KMT2ATP53ALOX15
SCHEMBL312841 0.81 AKR1B1 (0.50) AKR1B1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL311390 0.80 AKR1B1 (0.41) AKR1B1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL312716 0.78 MAOB (0.43) AKR1B1HPGDSMN1; SMN2KDM4EHSD17B10
SCHEMBL311620 0.77 AKR1B1 (0.43) AKR1B1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL324201 0.76 HPGD (0.61) AKR1B1HPGDMEN1KMT2ASMN1; SMN2

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
US-8093273-B2 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2012-01-10 US disclosed
EP-2332527-A2 Flavanoids and Isoflavanoids for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2011-06-15 EP disclosed