SCHEMBL14979356

SCHEMBL14979356

c1ccc(-c2ccc(-c3cc(-c4ccccc4)cc(-c4ccnc(-n5c6ccccc6c6ccc7ccccc7c65)n4)c3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DKK1 O94907 3/20 0.37
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
MCL1 Q07820 3/20 0.36
PDE10A Q9Y233 1/20 0.34
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
PTK2B Q14289 1/20 0.33
PIK3CA P42336 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GLA P06280 1/20 0.33
HTR2B P41595 1/20 0.32
HTR5A P47898 1/20 0.32
AURKA O14965 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
SCHEMBL14979353 0.94 PIK3CA (0.37) DKK1HCRTR1HCRTR2MCL1PDE10A
SCHEMBL14979351 0.94 DKK1 (0.38) DKK1HCRTR1HCRTR2MCL1PDE10A
SCHEMBL14979404 0.94 DKK1 (0.38) DKK1HCRTR1HCRTR2MCL1PDE10A
SCHEMBL14979431 0.94 HCRTR1 (0.38) DKK1HCRTR1HCRTR2MCL1PDE10A
SCHEMBL14979311 0.94 HCRTR1 (0.40) DKK1HCRTR1HCRTR2MCL1PDE10A
SCHEMBL14979400 0.94 HCRTR1 (0.40) DKK1HCRTR1HCRTR2MCL1PDE10A
SCHEMBL14979355 0.93 PIK3CA (0.37) DKK1HCRTR1HCRTR2MCL1PDE10A
SCHEMBL14979360 0.89 DKK1 (0.38) DKK1HCRTR1HCRTR2PDE10AMAPT
SCHEMBL14979376 0.89 DKK1 (0.38) DKK1HCRTR1HCRTR2PDE10AMAPT
SCHEMBL14979320 0.89 DKK1 (0.38) DKK1HCRTR1HCRTR2PDE10AMAPT

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