SCHEMBL6586738

SCHEMBL6586738

Cc1c(Cc2ccccc2F)c(=O)n(Cc2ccccc2)c2cc(O)cc(O)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SRC P12931 2/20 0.40
PLA2G2A P14555 2/20 0.37
THRB P10828 1/20 0.37
CASR P41180 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE5A O76074 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
FEN1 P39748 1/20 0.36
PRKDC P78527 1/20 0.36
NR1I2 O75469 1/20 0.36
BCL2 P10415 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
SCHEMBL6587073 0.88 KDM4E (0.55) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL6585846 0.86 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL6584377 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL6585985 0.80 PDE5A (0.39) KMT2APLA2G2ATHRBSMN1; SMN2PDE5A
SCHEMBL6585811 0.75 POLB (0.37) ALDH1A1KDM4EMAPTKMT2APOLB
SCHEMBL6582253 0.74 KDM4E (0.57) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL6846359 0.73 POLB (0.34) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL6585872 0.71 MEN1 (0.58) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL6585857 0.68 PDE5A (0.43) ALDH1A1KMT2APLA2G2APDE5AFEN1
SCHEMBL6599511 0.67 THRB (0.45) KDM4EMAPTMEN1KMT2APOLB

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