SCHEMBL6586072

SCHEMBL6586072

Cc1c(Cc2ccc(Cl)cc2)c(=O)oc2cc(OCC#N)cc(OCC#N)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
ACHE P22303 1/20 0.43
ALDH1A1 P00352 8/20 0.42
HPGD P15428 5/20 0.42
GAA P10253 3/20 0.42
KDM4E B2RXH2 8/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
HSD17B10 Q99714 3/20 0.42
GLA P06280 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
USP2 O75604 1/20 0.42
ALDH2 P05091 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 3/20 0.40
PKM P14618 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40

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
SCHEMBL6589765 0.90 KDM4E (0.52) ALDH1A1HPGDGAAKDM4EMEN1
SCHEMBL6590212 0.86 MAOB (0.46) MAOAMAOBACHEALDH1A1HPGD
SCHEMBL6590058 0.80 ACHE (0.43) MAOAMAOBACHEALDH1A1HPGD
SCHEMBL6588268 0.79 NQO1 (0.47) MAOBACHEALDH1A1HPGDGAA
SCHEMBL6584896 0.78 ALDH1A1 (0.49) MAOAMAOBACHEALDH1A1HPGD
SCHEMBL5329822 0.74 PKM (0.61) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL5327558 0.72 TP53 (0.58) ALDH1A1HPGDGAAKDM4EMEN1
SCHEMBL6590152 0.72 ALDH1A1 (0.40) MAOAMAOBALDH1A1HPGDGAA
SCHEMBL14305743 0.71 ALDH1A1 (0.48) MAOAMAOBACHEALDH1A1HPGD
SCHEMBL5326933 0.71 KDM4E (0.50) ALDH1A1HPGDKDM4EMEN1KMT2A

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-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-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