SCHEMBL6589426

SCHEMBL6589426

Cc1c(C2CCCC2)c(=O)oc2cc(OCc3nnn[nH]3)cc(OCc3nnn[nH]3)c12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.36
HSD17B10 Q99714 10/20 0.36
KDM4E B2RXH2 9/20 0.36
HPGD P15428 7/20 0.36
USP2 O75604 2/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPC1 O15118 1/20 0.33
BRD4 O60885 1/20 0.33
PSMB8 P28062 1/20 0.32
PSMB5 P28074 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 2/20 0.31
PKM P14618 1/20 0.31
CCR4 P51679 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL6590152 0.77 ALDH1A1 (0.40) ALDH1A1HSD17B10KDM4EHPGDGAA
SCHEMBL6590180 0.77 ALDH1A1 (0.37) ALDH1A1HSD17B10KDM4EHPGDUSP2
SCHEMBL6583611 0.77 KDM4E (0.60) ALDH1A1HSD17B10KDM4EHPGDUSP2
SCHEMBL6584234 0.76 KDM4E (0.50) ALDH1A1HSD17B10KDM4EHPGDUSP2
SCHEMBL6584896 0.75 ALDH1A1 (0.49) ALDH1A1HSD17B10KDM4EHPGDUSP2
SCHEMBL6585761 0.73 ALDH1A1 (0.37) ALDH1A1HSD17B10KDM4EHPGDUSP2
SCHEMBL6586629 0.73 KDM4E (0.47) ALDH1A1HSD17B10KDM4EHPGDUSP2
SCHEMBL6584771 0.73 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4EHPGDUSP2
SCHEMBL17211700 0.69 KDM4E (0.59) ALDH1A1HSD17B10KDM4EHPGDUSP2
SCHEMBL17211762 0.69 KDM4E (0.70) ALDH1A1HSD17B10KDM4EHPGDUSP2

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