SCHEMBL6584896

SCHEMBL6584896

Cc1c(Cc2ccc(Cl)cc2)c(=O)oc2cc(OCc3nnn[nH]3)cc(OCc3nnn[nH]3)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
KDM4E B2RXH2 8/20 0.49
HSD17B10 Q99714 4/20 0.49
HPGD P15428 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
USP2 O75604 2/20 0.49
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
ACHE P22303 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.38
BRD4 O60885 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PKM P14618 1/20 0.37
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
ACLY P53396 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
SCHEMBL6583611 0.91 KDM4E (0.60) ALDH1A1KDM4EHSD17B10HPGDMEN1
SCHEMBL6584771 0.88 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10HPGDMEN1
SCHEMBL6584234 0.83 KDM4E (0.50) ALDH1A1KDM4EHSD17B10HPGDMEN1
SCHEMBL6586629 0.81 KDM4E (0.47) ALDH1A1KDM4EHSD17B10HPGDMEN1
SCHEMBL6586072 0.78 MAOA (0.45) ALDH1A1KDM4EHSD17B10HPGDMEN1
SCHEMBL26434322 0.76 ALDH1A1 (0.70) ALDH1A1KDM4EHSD17B10HPGDMEN1
SCHEMBL26434324 0.76 MAP2K1 (0.58) ALDH1A1KDM4EHSD17B10HPGDMEN1
SCHEMBL6589426 0.75 ALDH1A1 (0.36) ALDH1A1KDM4EHSD17B10HPGDMEN1
SCHEMBL17211762 0.73 KDM4E (0.70) ALDH1A1KDM4EHSD17B10HPGDMEN1
SCHEMBL17211700 0.73 KDM4E (0.59) ALDH1A1KDM4EHSD17B10HPGDMEN1

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 7 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
US-5968959-A ADMINISTERING PHOSPHOLAMBAN INHIBITOR ORION CORPORATION (FI) 1999-10-19 US disclosed