SCHEMBL6585846

SCHEMBL6585846

Cc1c(Cc2ccccc2)c(=O)n(Cc2ccc(F)cc2)c2cc(O)cc(O)c12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
TP53 P04637 1/20 0.44
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NOX4 Q9NPH5 1/20 0.42
SRC P12931 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.39
ENPP2 Q13822 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL6587073 0.93 KDM4E (0.55) ALDH1A1KDM4EMAPTTP53LMNA
SCHEMBL6586738 0.86 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTSMN1; SMN2L3MBTL1
SCHEMBL6584377 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTSMN1; SMN2L3MBTL1
SCHEMBL6582253 0.79 KDM4E (0.57) ALDH1A1KDM4EMAPTTP53LMNA
SCHEMBL6599511 0.78 THRB (0.45) KDM4EMAPTTP53LMNAL3MBTL1
SCHEMBL6588669 0.74 TP53 (0.39) ALDH1A1KDM4EMAPTTP53LMNA
SCHEMBL6585872 0.72 MEN1 (0.58) ALDH1A1KDM4EMAPTLMNASMN1; SMN2
SCHEMBL6585853 0.72 POLB (0.37) ALDH1A1KDM4EMAPTTP53LMNA
SCHEMBL6585857 0.70 PDE5A (0.43) ALDH1A1TP53KMT2A
SCHEMBL3345114 0.70 PTGDR2 (0.53) ALDH1A1KDM4EMAPTLMNASMN1; SMN2

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