SCHEMBL5990953

SCHEMBL5990953

CN(C)c1ccc2c(c1)OC(C)(C)C(O)C2OC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.39
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KCNE1 P15382 10/20 0.34
KCNQ1 P51787 10/20 0.34
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ABCB1 P08183 6/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
KCND3 Q9UK17 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
SCHEMBL5990959 1.00 ABCC9 (0.39) ABCC9LMNAMAPTNPSR1TDP1
SCHEMBL5989324 0.88 ABCC9 (0.36) ABCC9TDP1KCNE1KCNQ1KDM4E
SCHEMBL5988487 0.83 ABCC9 (0.40) ABCC9TDP1KCNE1KCNQ1KDM4E
SCHEMBL5988483 0.83 ABCC9 (0.40) ABCC9TDP1KCNE1KCNQ1KDM4E
SCHEMBL5989260 0.80 ABCC9 (0.39) ABCC9TDP1KDM4EABCB1
SCHEMBL14313878 0.79 TLR3 (0.38) ABCC9MAPTNPSR1ALDH1A1MEN1
SCHEMBL2887176 0.79 TLR3 (0.38) ABCC9MAPTNPSR1ALDH1A1MEN1
SCHEMBL2888950 0.78 KCNA5 (0.42) MAPTNPC1KCNE1KCNQ1ALDH1A1
SCHEMBL14313851 0.77 ABCC9 (0.37) ABCC9LMNAMAPTABCB1CYP1A2
SCHEMBL5988198 0.77 ABCC9 (0.35) ABCC9KCNE1KCNQ1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718629-B1 Benzopyran compounds useful for the treatment of arrhytmia NISSAN CHEMICAL IND LTD (JP) 2012-12-26 EP disclosed
EP-1718629-A2 BENZOPYRAN COMPOUNDS USEFUL FOR THE TREATMENT OF ARRHYTMIA Nissan Chemical Industries, Ltd. (JP) 2006-11-08 EP disclosed
WO-2005080368-A2 BENZOPYRAN COMPOUND USEFUL FOR THE TREATMENT OF ARRHYTMIA NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-01 WO disclosed