SCHEMBL15089246

SCHEMBL15089246

c1ccc(-c2cc(-c3ccccc3)nc(N3c4cc5c(cc4-c4cccc6cccc3c46)c3cc(-c4ccccn4)ccc3n5-c3ccccc3)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.35
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
DHFR P00374 1/20 0.32
GRM5 P41594 2/20 0.32
MAPK14 Q16539 1/20 0.32
DHODH Q02127 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL15089038 0.95 PDE6D (0.34) PDE6DMAPK14DHODHIRAK4TSHR
SCHEMBL15089251 0.93 PDE6D (0.34) PDE6DHTR1AHTR7DHFRGRM5
SCHEMBL15089247 0.93 PDE6D (0.35) PDE6DHTR1AHTR7DHFRGRM5
SCHEMBL15089214 0.91 PDE6D (0.41) PDE6D
SCHEMBL15089024 0.91 PDE6D (0.39) PDE6DHTR1AHTR7DHFRGRM5
SCHEMBL15089239 0.90 PDE6D (0.44) PDE6DHTR1AHTR7DHFRGRM5
SCHEMBL15089358 0.89 PDE6D (0.39) PDE6DHTR1AHTR7DHFRGRM5
SCHEMBL15089059 0.89 PDE6D (0.45) PDE6DHTR1AHTR7DHFRGRM5
SCHEMBL15089245 0.89 PDE6D (0.36) PDE6DHTR1AHTR7DHFRGRM5
SCHEMBL15088813 0.88 PDE6D (0.38) PDE6DHTR1AHTR7DHFRGRM5

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