SCHEMBL14979400

SCHEMBL14979400

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.40
HCRTR2 O43614 5/20 0.40
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
PTK2B Q14289 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
AURKA O14965 1/20 0.37
HSP90AA1 P07900 1/20 0.37
PRKACA P17612 1/20 0.37
ADORA2A P29274 1/20 0.37
DKK1 O94907 2/20 0.36
SORD Q00796 1/20 0.34
PDE10A Q9Y233 1/20 0.33
MCL1 Q07820 1/20 0.33
FAAH O00519 1/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL14979311 1.00 HCRTR1 (0.40) HCRTR1HCRTR2MAPTKMT2APTK2B
SCHEMBL14979431 0.95 HCRTR1 (0.38) HCRTR1HCRTR2MAPTKMT2APTK2B
SCHEMBL14979356 0.94 DKK1 (0.37) HCRTR1HCRTR2MAPTKMT2APTK2B
SCHEMBL14979351 0.93 DKK1 (0.38) HCRTR1HCRTR2MAPTKMT2APTK2B
SCHEMBL14979404 0.93 DKK1 (0.38) HCRTR1HCRTR2MAPTKMT2APTK2B
SCHEMBL14979355 0.92 PIK3CA (0.37) HCRTR1HCRTR2AURKAHSP90AA1PRKACA
SCHEMBL14979353 0.91 PIK3CA (0.37) HCRTR1HCRTR2AURKAHSP90AA1PRKACA
SCHEMBL14979405 0.91 HCRTR1 (0.34) HCRTR1HCRTR2MAPTKMT2APTK2B
SCHEMBL17990449 0.89 HCRTR1 (0.35) HCRTR1HCRTR2MAPTKMT2APTK2B
SCHEMBL14979418 0.89 KDM4E (0.38) HCRTR1HCRTR2MAPTKMT2APTK2B

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