SCHEMBL14979320

SCHEMBL14979320

c1ccc(-c2ccc(-c3cccc(-c4ccnc(-n5c6ccc(-c7ccc(-c8ccccc8)cc7)cc6c6ccc7ccccc7c65)n4)c3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DKK1 O94907 3/20 0.38
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
PIK3CA P42336 1/20 0.36
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
PDE10A Q9Y233 1/20 0.33
PTGES O14684 1/20 0.32
MAPK8 P45983 2/20 0.32
PIK3CG P48736 2/20 0.32
GSK3B P49841 2/20 0.32
CAMKK2 Q96RR4 2/20 0.32
ROCK1 Q13464 1/20 0.32
CAMK2D Q13557 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 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
SCHEMBL14979360 1.00 DKK1 (0.38) DKK1PLGPLAUPIK3CAHCRTR1
SCHEMBL14979376 1.00 DKK1 (0.38) DKK1PLGPLAUPIK3CAHCRTR1
SCHEMBL14979351 0.94 DKK1 (0.38) DKK1PLGPLAUPIK3CAHCRTR1
SCHEMBL14979404 0.94 DKK1 (0.38) DKK1PLGPLAUPIK3CAHCRTR1
SCHEMBL14979355 0.93 PIK3CA (0.37) DKK1PLGPLAUPIK3CAHCRTR1
SCHEMBL14979326 0.93 KMO (0.36) DKK1PIK3CAHCRTR1HCRTR2MEN1
SCHEMBL14979373 0.93 KDM4E (0.36) DKK1PLGPLAUPIK3CAHCRTR1
SCHEMBL16186881 0.92 DKK1 (0.33) DKK1PLGPLAUPIK3CAHCRTR1
SCHEMBL14979431 0.92 HCRTR1 (0.38) DKK1PLGPLAUPIK3CAHCRTR1
SCHEMBL14979353 0.92 PIK3CA (0.37) DKK1PLGPLAUPIK3CAHCRTR1

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