SCHEMBL6584068

SCHEMBL6584068

Cc1cc(=O)n(Cc2ccccc2)c2cc(OCC#N)cc(OCC#N)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
MAPT P10636 8/20 0.43
LMNA P02545 4/20 0.42
ATM Q13315 1/20 0.41
KDM4E B2RXH2 4/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PLA2G10 O15496 1/20 0.36
PLA2G1B P04054 1/20 0.36
PLA2G2A P14555 1/20 0.36
PLA2G5 P39877 1/20 0.36
PLA2G2E Q9NZK7 1/20 0.36
C5AR1 P21730 1/20 0.36

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
SCHEMBL6587633 0.81 MAPT (0.39) MEN1KMT2AMAPTATMKDM4E
SCHEMBL6585477 0.81 PDE9A (0.35) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL6584662 0.79 KMT2A (0.54) MEN1KMT2AMAPTLMNAATM
SCHEMBL6585984 0.77 KMT2A (0.42) MEN1KMT2AMAPTLMNAATM
SCHEMBL6585811 0.77 POLB (0.37) KMT2AMAPTATMKDM4EALDH1A1
SCHEMBL6588669 0.77 TP53 (0.39) MAPTLMNAATMKDM4ETSHR
SCHEMBL6583601 0.72 KDM4E (0.40) MEN1KMT2AMAPTLMNAATM
SCHEMBL818659 0.70 PLA2G2A (0.43) MAPTSMN1; SMN2PLA2G10PLA2G1BPLA2G2A
SCHEMBL29200779 0.70 MEN1 (0.54) MEN1KMT2AMAPTLMNAATM
SCHEMBL30783406 0.70 MEN1 (0.54) MEN1KMT2AMAPTLMNAATM

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