SCHEMBL14979417

SCHEMBL14979417

c1ccc(-c2ccc3c(c2)c2cc(-c4ccnc(-n5c6ccccc6c6ccc7ccccc7c65)n4)ccc2n3-c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DKK1 O94907 2/20 0.35
PTGES O14684 1/20 0.34
PLG P00747 1/20 0.34
PLAU P00749 1/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
MCL1 Q07820 1/20 0.33
PTGER4 P35408 1/20 0.32
KHK P50053 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
PTK2B Q14289 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PIK3CA P42336 1/20 0.32
TSPO P30536 1/20 0.31
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30

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
SCHEMBL14979373 0.97 KDM4E (0.36) KDM4EATML3MBTL1DKK1PTGES
SCHEMBL14979418 0.97 KDM4E (0.38) KDM4EATML3MBTL1DKK1PTGES
SCHEMBL14979360 0.92 DKK1 (0.38) KDM4EDKK1PTGESPLGPLAU
SCHEMBL14979320 0.92 DKK1 (0.38) KDM4EDKK1PTGESPLGPLAU
SCHEMBL14979376 0.92 DKK1 (0.38) KDM4EDKK1PTGESPLGPLAU
SCHEMBL14979351 0.91 DKK1 (0.38) KDM4EDKK1PLGPLAUHCRTR1
SCHEMBL14979404 0.91 DKK1 (0.38) KDM4EDKK1PLGPLAUHCRTR1
SCHEMBL14979355 0.89 PIK3CA (0.37) DKK1PLGPLAUHCRTR1HCRTR2
SCHEMBL15626493 0.89 KDM4E (0.44) KDM4EATML3MBTL1DKK1PLG
SCHEMBL16659305 0.88 KDM4E (0.41) KDM4EATML3MBTL1DKK1PLG

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