SCHEMBL15089094

SCHEMBL15089094

c1ccc(-c2ccc3c(c2)c2cc4c(cc2n3-c2ccc(-n3c5ccccc5c5ccccc53)cc2)N(c2ccc(-n3c5ccccc5c5ccccc53)cc2)c2cccc3cccc-4c23)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.38
NPY5R Q15761 1/20 0.36
MAPK14 Q16539 1/20 0.34
MCL1 Q07820 2/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
HTR2C P28335 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GAA P10253 1/20 0.31
HTR1A P08908 1/20 0.30
HTR7 P34969 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
SCHEMBL15089059 0.94 PDE6D (0.45) PDE6DNPY5RMAPK14PIM1PIM3
SCHEMBL15089024 0.94 PDE6D (0.39) PDE6DNPY5RMAPK14PIM1PIM3
SCHEMBL15089239 0.93 PDE6D (0.44) PDE6DMAPK14PIM1PIM3IRAK4
SCHEMBL15089042 0.93 NPY5R (0.35) PDE6DNPY5RMAPK14MCL1PIM1
SCHEMBL15089360 0.93 PDE6D (0.35) PDE6DNPY5RMAPK14MCL1HTR2C
SCHEMBL15089032 0.92 PDE6D (0.35) PDE6DNPY5RMAPK14MCL1KDM4E
SCHEMBL15089244 0.91 PDE6D (0.36) PDE6DMAPK14PIM1PIM3IRAK4
SCHEMBL15089219 0.90 MAPK14 (0.36) NPY5RMAPK14MCL1PIM1PIM3
SCHEMBL15089358 0.89 PDE6D (0.39) PDE6DMAPK14PIM1PIM3HTR1A
SCHEMBL15089052 0.89 NPY5R (0.33) PDE6DNPY5RMAPK14PIM1PIM3

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