SCHEMBL6583601

SCHEMBL6583601

Cc1c(Cc2ccccc2)c(=O)n(C)c2cc(OCC#N)cc(OCC#N)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.40
ALDH1A1 P00352 5/20 0.40
HPGD P15428 3/20 0.40
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GLA P06280 2/20 0.38
ATM Q13315 1/20 0.38
BRPF1 P55201 1/20 0.36
GAA P10253 3/20 0.35
CYP2C9 P11712 2/20 0.35
FPR1 P21462 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
TRPC5 Q9UL62 2/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 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
SCHEMBL6587633 0.88 MAPT (0.39) KDM4EALDH1A1MAPTNPSR1GLA
SCHEMBL6588669 0.83 TP53 (0.39) KDM4EALDH1A1MAPTNPSR1GLA
SCHEMBL6585612 0.80 TRPC5 (0.44) KDM4EALDH1A1HPGDNPSR1GAA
SCHEMBL6585811 0.79 POLB (0.37) KDM4EALDH1A1MAPTNPSR1GLA
SCHEMBL6585477 0.79 PDE9A (0.35) KDM4EALDH1A1MAPTNPSR1PSEN1
SCHEMBL6589765 0.78 KDM4E (0.52) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL6585624 0.78 POLB (0.41) KDM4EALDH1A1HPGDKMT2ALMNA
SCHEMBL3344022 0.74 PLA2G1B (0.49) KDM4EALDH1A1HPGDMAPTTRPC5
SCHEMBL6584068 0.72 MEN1 (0.48) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL6590058 0.71 ACHE (0.43) KDM4EALDH1A1HPGDMAPTGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1017691-A1 BISETHERS OF 1-OXA, AZA AND THIANAPHTHALEN-2-ONES AS PHOSPHOLAMBAN INHIBITORS ORION CORPORATION (ORION-YHTYMA OY) (FI) 2000-07-12 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-1999015523-A1 BISETHERS OF 1-OXA, AZA AND THIANAPHTHALEN-2-ONES AS PHOSPHOLAMBAN INHIBITORS ORION CORPORATION (FI) 1999-04-01 WO disclosed