SCHEMBL6586392

SCHEMBL6586392

Cc1c(Cc2ccccc2)c(=O)n(Cc2ccccc2)c2cc(OCc3nnn[nH]3)cc(OCc3nnn[nH]3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 3/20 0.39
USP2 O75604 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK14 Q16539 1/20 0.36
DYRK1A Q13627 3/20 0.35
PLK1 P53350 2/20 0.35
PLK3 Q9H4B4 2/20 0.35
PLK2 Q9NYY3 2/20 0.35
P2RX3 P56373 3/20 0.35
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL6585853 0.95 POLB (0.37) POLBPKMSMN1; SMN2KDM4EALDH1A1
SCHEMBL7981826 0.92 MAPK14 (0.35) POLBPKMSMN1; SMN2KDM4EALDH1A1
SCHEMBL6846359 0.92 POLB (0.34) POLBPKMSMN1; SMN2KDM4EALDH1A1
SCHEMBL6585624 0.89 POLB (0.41) POLBPKMSMN1; SMN2KDM4EALDH1A1
SCHEMBL6585984 0.84 KMT2A (0.42) KDM4EHPGDKMT2AMEN1MAPK14
SCHEMBL6583611 0.79 KDM4E (0.60) POLBSMN1; SMN2KDM4EALDH1A1HSD17B10
SCHEMBL6587633 0.79 MAPT (0.39) POLBKDM4EALDH1A1KMT2AMEN1
SCHEMBL6586773 0.78 PLA2G2A (0.49)
SCHEMBL6588064 0.76 PLA2G2A (0.50) SMN1; SMN2KDM4EALDH1A1KMT2AMEN1
SCHEMBL6585857 0.76 PDE5A (0.43) ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265421-B1 DILATATION OF ARTERIES ORION CORPORATION (FI) 2001-07-24 US claimed
EP-1001774-B1 USE OF PHOSPHOLAMBAN INHIBITORS FOR INCREASING CORONARY FLOW ORION CORP (FI) 2004-09-15 EP disclosed
US-6774103-B1 Compounds for deactivating phospholamban function on Ca-ATPase (phospholamban inhibitors) ORION CORPORATION (FI) 2004-08-10 US disclosed
US-6538022-B1 Three-dimensional structure of the cytosolic domain of phospholamban (PLB) and its active site from NMR data of sufficiently high resolution for the three-dimensional structure determination. rational drug design enabling the ORION CORPORATION (FI) 2003-03-25 US disclosed
EP-1039884-B1 A METHOD FOR THE PREVENTION AND TREATMENT OF STUNNED MYOCARDIUM ORION CORP (FI) 2002-09-18 EP disclosed
US-6265421-B1 DILATATION OF ARTERIES ORION CORPORATION (FI) 2001-07-24 US disclosed
EP-1039884-A1 A METHOD FOR THE PREVENTION AND TREATMENT OF STUNNED MYOCARDIUM ORION CORPORATION (FI) 2000-10-04 EP disclosed
US-5968959-A ADMINISTERING PHOSPHOLAMBAN INHIBITOR ORION CORPORATION (FI) 1999-10-19 US disclosed
WO-1999030696-A1 A METHOD FOR THE PREVENTION AND TREATMENT OF STUNNED MYOCARDIUM ORION CORPORATION (FI) 1999-06-24 WO disclosed