SCHEMBL6585872

SCHEMBL6585872

Cc1cc(=O)n(Cc2ccccc2)c2cc(O)cc(O)c12

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
ALDH1A1 P00352 3/20 0.55
MAPT P10636 2/20 0.55
KDM4E B2RXH2 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 2/20 0.49
ATM Q13315 1/20 0.49
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SRC P12931 2/20 0.44
C5AR1 P21730 1/20 0.43
NOTUM Q6P988 1/20 0.43
PRKDC P78527 1/20 0.42
PLA2G2A P14555 1/20 0.42
MAPK1 P28482 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
SCHEMBL9158213 0.80 MEN1 (0.72) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL6587073 0.77 KDM4E (0.55) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL6584377 0.76 ALDH1A1 (0.46) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL4392970 0.75 LMNA (0.60) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL377486 0.74 MEN1 (1.00) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL30783416 0.74 MEN1 (1.00) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL6584662 0.73 KMT2A (0.54) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL6585846 0.72 ALDH1A1 (0.49) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL8358470 0.71 KMT2A (0.72) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL6586738 0.71 ALDH1A1 (0.43) MEN1KMT2AALDH1A1MAPTKDM4E

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