SCHEMBL15089355

SCHEMBL15089355

c1ccc(-n2c3ccc(-c4ccncc4)cc3c3cc4c(cc32)N(c2cncnc2)c2cccc3cccc-4c23)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.37
PIK3CA P42336 2/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DYRK1A Q13627 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR6 P50406 1/20 0.30
MAPK9 P45984 1/20 0.30
MAPK10 P53779 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CB P42338 1/20 0.30
MTOR P42345 1/20 0.30
PIK3CG P48736 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
SCHEMBL15089158 0.95 PDE6D (0.41) PDE6DGAAMAPTMAPK1HTT
SCHEMBL15089261 0.92 PDE6D (0.42) PDE6D
SCHEMBL15089143 0.90 PDE6D (0.45) PDE6DPIK3CAMAPTKDM4EALDH1A1
SCHEMBL15089260 0.89 PDE6D (0.46) PDE6DPIK3CAMAPTKDM4EALDH1A1
SCHEMBL15089046 0.89 KDM4E (0.40) PDE6DPIK3CAMAPTKDM4EALDH1A1
SCHEMBL15089154 0.89 HTT (0.41) PDE6DGAAMAPTMAPK1HTT
SCHEMBL15089256 0.88 PDE6D (0.38) PDE6DPIK3CAMAPTKDM4EALDH1A1
SCHEMBL15089106 0.87 KDM4E (0.39) PDE6DGAAMAPTMAPK1HTT
SCHEMBL15089292 0.87 HTT (0.41) PDE6DGAAMAPTMAPK1HTT
SCHEMBL15089338 0.86 PDE6D (0.50) PDE6DHTTKDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013100497-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2013-07-04 WO disclosed