SCHEMBL6587019

SCHEMBL6587019

Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=N)NO)cc(OCC(=N)NO)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.53
KDM4E B2RXH2 11/20 0.53
HPGD P15428 6/20 0.53
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
USP2 O75604 2/20 0.53
HSD17B10 Q99714 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
MAPT P10636 2/20 0.51
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
LMNA P02545 3/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PKM P14618 1/20 0.48
GAA P10253 2/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
SLC10A1 Q14973 1/20 0.47
POLB P06746 1/20 0.45

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
SCHEMBL6585599 0.86 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL6589765 0.78 KDM4E (0.52) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL5331232 0.77 SLC26A3 (0.60) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL5329826 0.77 KDM4E (0.68) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL6586586 0.75 KDM4E (0.49) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL6583611 0.72 KDM4E (0.60) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL5361482 0.72 KDM4E (0.61) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL5332362 0.71 KDM4E (0.66) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL5332412 0.71 KDM4E (0.66) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL6585778 0.71 KDM4E (0.54) ALDH1A1KDM4EHPGDKMT2AMEN1

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 6 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
US-5968959-A ADMINISTERING PHOSPHOLAMBAN INHIBITOR ORION CORPORATION (FI) 1999-10-19 US disclosed