SCHEMBL6588064

SCHEMBL6588064

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 19/20 0.50
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PLA2G10 O15496 3/20 0.46
PLA2G1B P04054 3/20 0.46
PLA2G5 P39877 3/20 0.46
PLA2G2E Q9NZK7 3/20 0.46

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
SCHEMBL6586773 0.92 PLA2G2A (0.49) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2E
SCHEMBL6585606 0.89 PLA2G2A (0.41) PLA2G2AKDM4EALDH1A1SMN1; SMN2PLA2G10
SCHEMBL6590065 0.89 ALDH1A1 (0.48) PLA2G2AKDM4EMEN1ALDH1A1KMT2A
SCHEMBL6587633 0.81 MAPT (0.39) PLA2G2AKDM4EMEN1ALDH1A1KMT2A
SCHEMBL6585605 0.81 PLA2G10 (0.42) PLA2G2AKDM4EPLA2G10PLA2G1BPLA2G5
SCHEMBL6585857 0.80 PDE5A (0.43) PLA2G2AALDH1A1KMT2APLA2G1B
SCHEMBL3344376 0.79 PLA2G2A (0.55) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2E
SCHEMBL6588669 0.77 TP53 (0.39) KDM4EALDH1A1SMN1; SMN2
SCHEMBL6586392 0.76 POLB (0.40) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL6599511 0.75 THRB (0.45) PLA2G2AKDM4EMEN1KMT2A

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 13 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-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