SCHEMBL14979326

SCHEMBL14979326

Fc1ccc2c(c1)c1ccc3ccccc3c1n2-c1nccc(-c2cccc(-c3ccc(-c4ccccc4)cc3)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.36
NR3C1 P04150 1/20 0.35
DKK1 O94907 2/20 0.35
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PIK3CA P42336 1/20 0.33
DHODH Q02127 3/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL14979320 0.93 DKK1 (0.38) DKK1MAPTHCRTR1HCRTR2MEN1
SCHEMBL14979376 0.93 DKK1 (0.38) DKK1MAPTHCRTR1HCRTR2MEN1
SCHEMBL14979360 0.93 DKK1 (0.38) DKK1MAPTHCRTR1HCRTR2MEN1
SCHEMBL14979410 0.91 KMO (0.39) KMODKK1MAPK1HTTPIK3CA
SCHEMBL14979404 0.90 DKK1 (0.38) DKK1MAPTNPSR1HCRTR1HCRTR2
SCHEMBL14979351 0.90 DKK1 (0.38) DKK1MAPTNPSR1HCRTR1HCRTR2
SCHEMBL14979355 0.88 PIK3CA (0.37) DKK1HCRTR1HCRTR2PIK3CA
SCHEMBL14979420 0.88 DKK1 (0.35) KMODKK1HCRTR1HCRTR2PIK3CA
SCHEMBL14979353 0.87 PIK3CA (0.37) DKK1HCRTR1HCRTR2PIK3CA
SCHEMBL14979431 0.87 HCRTR1 (0.38) DKK1MAPTNPSR1HCRTR1HCRTR2

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
US-20140316136-A1 NOVEL ORGANIC ELECTROLUMINESCENCE COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME ROHM & HAAS ELECT MAT (KR) 2014-10-23 US disclosed
US-20140316136-A1 NOVEL ORGANIC ELECTROLUMINESCENCE COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME ROHM & HAAS ELECT MAT (KR) 2014-10-23 US disclosed
WO-2013073859-A1 NOVEL ORGANIC ELECTROLUMINESCENCE COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2013-05-23 WO disclosed