SCHEMBL6585984

SCHEMBL6585984

Cc1cc(=O)n(Cc2ccccc2)c2cc(OCc3nnn[nH]3)cc(OCc3nnn[nH]3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.41
LMNA P02545 4/20 0.39
DYRK1A Q13627 3/20 0.37
HPGD P15428 2/20 0.37
ATM Q13315 1/20 0.36
KDM4E B2RXH2 2/20 0.36
PSMD14 O00487 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
PLK1 P53350 2/20 0.35
PLK3 Q9H4B4 2/20 0.35
PLK2 Q9NYY3 2/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK14 Q16539 1/20 0.34
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL6586392 0.84 POLB (0.40) KMT2AMEN1LMNADYRK1AHPGD
SCHEMBL7981826 0.83 MAPK14 (0.35) KMT2AMEN1LMNADYRK1AHPGD
SCHEMBL6585853 0.80 POLB (0.37) KMT2AMEN1MAPTLMNAHPGD
SCHEMBL6846359 0.80 POLB (0.34) KMT2AMEN1MAPTDYRK1AHPGD
SCHEMBL6584068 0.77 MEN1 (0.48) KMT2AMEN1MAPTLMNAHPGD
SCHEMBL6585624 0.76 POLB (0.41) KMT2AMEN1LMNAHPGDKDM4E
SCHEMBL29862450 0.74 PLA2G2A (0.39) MAPTKDM4EPLK1TP53
SCHEMBL29862448 0.74 PLA2G2A (0.39) MAPTKDM4EPLK1TP53
SCHEMBL6584662 0.74 KMT2A (0.54) KMT2AMEN1MAPTLMNAATM
SCHEMBL6583611 0.71 KDM4E (0.60) KMT2AMEN1MAPTLMNAHPGD

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 11 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
EP-1001774-A1 USE OF PHOSPHOLAMBAN INHIBITORS TO INCREASING CORONARY FLOW ORION CORPORATION (FI) 2000-05-24 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
WO-1999000132-A1 USE OF PHOSPHOLAMBAN INHIBITORS FOR INCREASING CORONARY FLOW ORION CORPORATION (FI) 1999-01-07 WO disclosed