SCHEMBL6586629

SCHEMBL6586629

Cc1c(Cc2cccc3ccccc23)c(=O)oc2cc(OCc3nnn[nH]3)cc(OCc3nnn[nH]3)c12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.47
ALDH1A1 P00352 8/20 0.47
HSD17B10 Q99714 5/20 0.47
HPGD P15428 5/20 0.47
USP2 O75604 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NQO1 P15559 3/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 1/20 0.37
ACHE P22303 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
SLC26A3 P40879 2/20 0.35
ACLY P53396 1/20 0.35
RAF1 P04049 1/20 0.35
MAP2K1 Q02750 1/20 0.35

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
SCHEMBL6583611 0.86 KDM4E (0.60) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL6584234 0.82 KDM4E (0.50) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL6584896 0.81 ALDH1A1 (0.49) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL6588268 0.80 NQO1 (0.47) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL6584771 0.78 ALDH1A1 (0.47) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL26434322 0.73 ALDH1A1 (0.70) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL6589426 0.73 ALDH1A1 (0.36) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL17211700 0.70 KDM4E (0.59) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL17211762 0.70 KDM4E (0.70) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL6586437 0.70 ALDH1A1 (0.55) KDM4EALDH1A1HSD17B10HPGDKMT2A

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 9 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
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