SCHEMBL6585977

SCHEMBL6585977

N#CCOc1cc(OCC#N)c2c3c(c(=O)oc2c1)C(c1ccccc1)CCC3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAOB P27338 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH2 P05091 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RXFP1 Q9HBX9 2/20 0.34
NFKB1 P19838 1/20 0.34
CGAS Q8N884 1/20 0.33
ADORA3 P0DMS8 2/20 0.32
ACHE P22303 2/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL6590180 0.81 ALDH1A1 (0.37) MEN1KMT2AMAOBTDP1KDM4E
SCHEMBL6586439 0.80 MEN1 (0.39) MEN1KMT2AMAOBTDP1KDM4E
SCHEMBL6590152 0.73 ALDH1A1 (0.40) MEN1KMT2AMAOBKDM4EALDH1A1
SCHEMBL6587683 0.71 ALDH1A1 (0.43) MEN1KMT2AMAOBKDM4EALDH1A1
SCHEMBL6589765 0.68 KDM4E (0.52) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL6587812 0.68 ALDH1A1 (0.59) KMT2AMAOBKDM4EALDH1A1HPGD
SCHEMBL6590058 0.67 ACHE (0.43) MEN1KMT2AMAOBKDM4EALDH1A1
SCHEMBL6585761 0.63 ALDH1A1 (0.37) MEN1KMT2AMAOBTDP1KDM4E
SCHEMBL6588268 0.62 NQO1 (0.47) MEN1KMT2AMAOBTDP1KDM4E
SCHEMBL6586072 0.61 MAOA (0.45) MEN1KMT2AMAOBKDM4EALDH1A1

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