SCHEMBL14979405

SCHEMBL14979405

c1ccc(-c2ccc(-c3ccccc3-c3ccnc(-n4c5ccccc5c5ccc6ccccc6c54)n3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.34
HCRTR2 O43614 9/20 0.34
MCL1 Q07820 3/20 0.33
TNF P01375 1/20 0.32
MAPT P10636 2/20 0.32
DKK1 O94907 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
DUSP3 P51452 1/20 0.31
DYRK1A Q13627 1/20 0.31
KMT2A Q03164 1/20 0.31
PTK2B Q14289 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL14979310 0.98 HCRTR1 (0.35) HCRTR1HCRTR2MCL1TNFMAPT
SCHEMBL14979399 0.97 HCRTR1 (0.34) HCRTR1HCRTR2MCL1TNFMAPT
SCHEMBL14979311 0.91 HCRTR1 (0.40) HCRTR1HCRTR2MCL1MAPTDKK1
SCHEMBL14979400 0.91 HCRTR1 (0.40) HCRTR1HCRTR2MCL1MAPTDKK1
SCHEMBL14979356 0.87 DKK1 (0.37) HCRTR1HCRTR2MCL1MAPTDKK1
SCHEMBL14979431 0.86 HCRTR1 (0.38) HCRTR1HCRTR2MCL1MAPTDKK1
SCHEMBL14979351 0.86 DKK1 (0.38) HCRTR1HCRTR2MCL1MAPTDKK1
SCHEMBL14979404 0.86 DKK1 (0.38) HCRTR1HCRTR2MCL1MAPTDKK1
SCHEMBL14979355 0.85 PIK3CA (0.37) HCRTR1HCRTR2MCL1DKK1
SCHEMBL14979353 0.84 PIK3CA (0.37) HCRTR1HCRTR2MCL1DKK1

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