SCHEMBL6587633

SCHEMBL6587633

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
KDM4E B2RXH2 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
GLA P06280 1/20 0.39
ATM Q13315 1/20 0.39
P2RX3 P56373 3/20 0.36
PDE9A O76083 1/20 0.36
PDE1C Q14123 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 2/20 0.35
TP53 P04637 1/20 0.34
PLA2G10 O15496 1/20 0.34
PLA2G1B P04054 1/20 0.34
PLA2G2A P14555 1/20 0.34
PLA2G5 P39877 1/20 0.34
PLA2G2E Q9NZK7 1/20 0.34
CYP2C9 P11712 2/20 0.34
FPR1 P21462 2/20 0.34
GAA P10253 2/20 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
SCHEMBL6588669 0.94 TP53 (0.39) MAPTKDM4ENPSR1GLAATM
SCHEMBL6585477 0.91 PDE9A (0.35) MAPTKDM4ENPSR1PDE9APDE1C
SCHEMBL6585811 0.91 POLB (0.37) MAPTKDM4ENPSR1GLAATM
SCHEMBL6583601 0.88 KDM4E (0.40) MAPTKDM4ENPSR1GLAATM
SCHEMBL6586773 0.83 PLA2G2A (0.49) PLA2G10PLA2G1BPLA2G2APLA2G5PLA2G2E
SCHEMBL6584068 0.81 MEN1 (0.48) MAPTKDM4ENPSR1ATMMEN1
SCHEMBL6588064 0.81 PLA2G2A (0.50) KDM4EMEN1KMT2APLA2G10PLA2G1B
SCHEMBL6585857 0.81 PDE5A (0.43) KMT2ATP53PLA2G1BPLA2G2AALDH1A1
SCHEMBL6585606 0.80 PLA2G2A (0.41) KDM4ENPSR1POLBPLA2G10PLA2G1B
SCHEMBL6590065 0.80 ALDH1A1 (0.48) KDM4EMEN1KMT2APOLBPLA2G10

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 12 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
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-1999015523-A1 BISETHERS OF 1-OXA, AZA AND THIANAPHTHALEN-2-ONES AS PHOSPHOLAMBAN INHIBITORS ORION CORPORATION (FI) 1999-04-01 WO disclosed
WO-1999000132-A1 USE OF PHOSPHOLAMBAN INHIBITORS FOR INCREASING CORONARY FLOW ORION CORPORATION (FI) 1999-01-07 WO disclosed