SCHEMBL6586586

SCHEMBL6586586

Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC3NOC(=O)N3)cc(OCC3NOC(=O)N3)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.49
ALDH1A1 P00352 11/20 0.49
HPGD P15428 5/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
USP2 O75604 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MAPT P10636 2/20 0.47
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
LMNA P02545 2/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A2 O94788 1/20 0.43
ALDH1B1 P30837 1/20 0.43
ALDH1A3 P47895 1/20 0.43
STS P08842 1/20 0.43
MAP2K1 Q02750 1/20 0.42
GAA P10253 2/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL6589765 0.76 KDM4E (0.52) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL6587019 0.75 ALDH1A1 (0.53) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL6583611 0.73 KDM4E (0.60) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL6585778 0.72 KDM4E (0.54) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL5331232 0.70 SLC26A3 (0.60) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL5329826 0.70 KDM4E (0.68) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL6585599 0.69 ALDH1A1 (0.51) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL5332362 0.68 KDM4E (0.66) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL5332412 0.68 KDM4E (0.66) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL14305743 0.68 ALDH1A1 (0.48) KDM4EALDH1A1HPGDKMT2AMEN1

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 7 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
US-5968959-A ADMINISTERING PHOSPHOLAMBAN INHIBITOR ORION CORPORATION (FI) 1999-10-19 US disclosed