SCHEMBL6586437

SCHEMBL6586437

O=c1cc(-c2ccccc2)c2c(OCc3nnn[nH]3)cc(OCc3nnn[nH]3)cc2o1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
HPGD P15428 4/20 0.55
HSD17B10 Q99714 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CA9 Q16790 3/20 0.47
PIN1 Q13526 1/20 0.46
MAOB P27338 1/20 0.45
KMT2A Q03164 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAP1LC3B Q9GZQ8 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
SCHEMBL6583611 0.76 KDM4E (0.60) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL6584234 0.75 KDM4E (0.50) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL26434311 0.75 NPC1 (0.57) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL6587812 0.75 ALDH1A1 (0.59) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL19867238 0.74 ALDH1A1 (0.67) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL6585761 0.72 ALDH1A1 (0.37) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL6586629 0.70 KDM4E (0.47) ALDH1A1HPGDHSD17B10KDM4ESMN1; SMN2
SCHEMBL2483203 0.69 ABCB1 (0.52) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL1243217 0.69 RAB9A (0.47) ALDH1A1SMN1; SMN2MAOBKMT2A
SCHEMBL6584896 0.69 ALDH1A1 (0.49) ALDH1A1HPGDHSD17B10KDM4EMAPT

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-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
US-5968959-A ADMINISTERING PHOSPHOLAMBAN INHIBITOR ORION CORPORATION (FI) 1999-10-19 US disclosed
WO-1999015523-A1 BISETHERS OF 1-OXA, AZA AND THIANAPHTHALEN-2-ONES AS PHOSPHOLAMBAN INHIBITORS ORION CORPORATION (FI) 1999-04-01 WO disclosed