SCHEMBL6590212

SCHEMBL6590212

Cc1c(Cc2ccc([N+](=O)[O-])cc2)c(=O)oc2cc(OCC#N)cc(OCC#N)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.46
ALDH1A1 P00352 6/20 0.44
HPGD P15428 4/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 4/20 0.42
MAP2K1 Q02750 1/20 0.40
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
KDM4E B2RXH2 6/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
ALDH2 P05091 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL6586072 0.86 MAOA (0.45) MAOBALDH1A1HPGDMAPTKDM4E
SCHEMBL6589765 0.86 KDM4E (0.52) ALDH1A1HPGDMAPTMAP2K1KDM4E
SCHEMBL6584771 0.80 ALDH1A1 (0.47) MAOBALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL6590058 0.77 ACHE (0.43) MAOBALDH1A1HPGDMAPTKDM4E
SCHEMBL6588268 0.76 NQO1 (0.47) MAOBALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL6584683 0.72 KDM4E (0.71) MAOBALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL6590152 0.69 ALDH1A1 (0.40) MAOBALDH1A1HPGDMAPTKDM4E
SCHEMBL960393 0.67 HSD17B3 (0.70) MAOBALDH1A1HPGDMAPTMAP2K1
SCHEMBL2061312 0.66 KCNH2 (0.52) MAOBALDH1A1MAPTGAAL3MBTL1
SCHEMBL6584896 0.66 ALDH1A1 (0.49) MAOBALDH1A1HPGDMAPTKDM4E

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 10 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
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