SCHEMBL15089155

SCHEMBL15089155

c1ccc(-c2cccc(-c3ccc4c(c3)c3cc5c(cc3n4-c3ccccc3)N(c3cccc(-c4cccnc4)n3)c3cccc4cccc-5c34)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.40
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP19A1 P11511 2/20 0.33
MAPK14 Q16539 1/20 0.32
PIM1 P11309 3/20 0.32
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
CYP11B1 P15538 2/20 0.31
CYP17A1 P05093 1/20 0.31
CYP11B2 P19099 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
DHODH Q02127 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
SCHEMBL15089242 0.94 CYP19A1 (0.40) PDE6DMAPTHTTGAAMAPK1
SCHEMBL15089154 0.88 HTT (0.41) PDE6DMAPTHTTGAAMAPK1
SCHEMBL15089371 0.87 PDE6D (0.40) PDE6D
SCHEMBL15088976 0.86 MAPK14 (0.37) PDE6DMAPTHTTGAAMAPK1
SCHEMBL15089292 0.86 HTT (0.41) PDE6DMAPTHTTGAAMAPK1
SCHEMBL15089145 0.85 PDE6D (0.37) PDE6DMAPTHTTGAAMAPK1
SCHEMBL15088797 0.85 CYP19A1 (0.40) PDE6DMAPTHTTGAAMAPK1
SCHEMBL15088925 0.84 PDE6D (0.37) PDE6DPOLB
SCHEMBL15089168 0.84 PDE6D (0.41) PDE6DGAAALDH1A1CASP1CASP7
SCHEMBL15089136 0.84 PDE6D (0.43) PDE6DMAPTHTTGAAMAPK1

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