SCHEMBL14979310

SCHEMBL14979310

c1ccc(-c2ccccc2-c2ccnc(-n3c4ccccc4c4ccc5ccccc5c43)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.35
HCRTR2 O43614 9/20 0.35
MCL1 Q07820 3/20 0.34
TNF P01375 1/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
DUSP3 P51452 1/20 0.32
DYRK1A Q13627 3/20 0.32
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
APEX1 P27695 1/20 0.31
MAPK1 P28482 1/20 0.31
PMP22 Q01453 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
SCHEMBL14979399 0.99 HCRTR1 (0.34) HCRTR1HCRTR2MCL1TNFMAPT
SCHEMBL14979405 0.98 HCRTR1 (0.34) HCRTR1HCRTR2MCL1TNFMAPT
SCHEMBL14979311 0.88 HCRTR1 (0.40) HCRTR1HCRTR2MCL1MAPTKDM4E
SCHEMBL14979400 0.88 HCRTR1 (0.40) HCRTR1HCRTR2MCL1MAPTKDM4E
SCHEMBL14979355 0.85 PIK3CA (0.37) HCRTR1HCRTR2MCL1
SCHEMBL14979356 0.85 DKK1 (0.37) HCRTR1HCRTR2MCL1MAPTKDM4E
SCHEMBL14979351 0.84 DKK1 (0.38) HCRTR1HCRTR2MCL1MAPTKDM4E
SCHEMBL14979404 0.84 DKK1 (0.38) HCRTR1HCRTR2MCL1MAPTKDM4E
SCHEMBL14979353 0.84 PIK3CA (0.37) HCRTR1HCRTR2MCL1
SCHEMBL14979431 0.84 HCRTR1 (0.38) HCRTR1HCRTR2MCL1MAPT

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