SCHEMBL14979418

SCHEMBL14979418

c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccnc(-n6c7ccccc7c7ccc8ccccc8c76)n5)cc4)ccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DKK1 O94907 2/20 0.34
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
PTGER4 P35408 1/20 0.33
PTGES O14684 1/20 0.33
KHK P50053 2/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
PTK2B Q14289 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PLG P00747 1/20 0.32
PLAU P00749 1/20 0.32
MCL1 Q07820 1/20 0.31
HTT P42858 2/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL14979417 0.97 KDM4E (0.37) KDM4EATML3MBTL1DKK1HCRTR1
SCHEMBL14979373 0.94 KDM4E (0.36) KDM4EATML3MBTL1DKK1HCRTR1
SCHEMBL14979431 0.89 HCRTR1 (0.38) DKK1HCRTR1HCRTR2MAPTKMT2A
SCHEMBL15626497 0.89 KDM4E (0.45) KDM4EATML3MBTL1DKK1PTGER4
SCHEMBL14979400 0.89 HCRTR1 (0.40) KDM4EDKK1HCRTR1HCRTR2MAPT
SCHEMBL14979311 0.89 HCRTR1 (0.40) KDM4EDKK1HCRTR1HCRTR2MAPT
SCHEMBL14979376 0.88 DKK1 (0.38) KDM4EDKK1HCRTR1HCRTR2PTGES
SCHEMBL14979360 0.88 DKK1 (0.38) KDM4EDKK1HCRTR1HCRTR2PTGES
SCHEMBL14979320 0.88 DKK1 (0.38) KDM4EDKK1HCRTR1HCRTR2PTGES
SCHEMBL16659304 0.88 KDM4E (0.42) KDM4EATML3MBTL1DKK1PTGER4

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