SCHEMBL15089357

SCHEMBL15089357

c1ccc(-c2ccnc(N3c4cc5c(cc4-c4cccc6cccc3c46)c3cc(-c4ccccn4)ccc3n5-c3ccccc3)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.36
GRM5 P41594 5/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
DHFR P00374 1/20 0.31
COMT P21964 1/20 0.31
IRAK4 Q9NWZ3 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
SCHEMBL15089026 0.95 PDE6D (0.35) PDE6DKDM4EALDH1A1GAACASP1
SCHEMBL15089361 0.95 PDE6D (0.35) PDE6DKDM4EALDH1A1GAACASP1
SCHEMBL15089168 0.94 PDE6D (0.41) PDE6DKDM4EALDH1A1GAACASP1
SCHEMBL15089245 0.92 PDE6D (0.36) PDE6DGRM5HTR1AHTR7DHFR
SCHEMBL15089111 0.92 KDM4E (0.33) PDE6DGRM5KDM4EALDH1A1GAA
SCHEMBL15089354 0.92 KDM4E (0.39) PDE6DGRM5KDM4EALDH1A1GAA
SCHEMBL15089358 0.91 PDE6D (0.39) PDE6DGRM5HTR1AHTR7DHFR
SCHEMBL15089058 0.91 KDM4E (0.35) PDE6DKDM4EALDH1A1GAAHTR1A
SCHEMBL15089239 0.90 PDE6D (0.44) PDE6DGRM5KDM4EALDH1A1GAA
SCHEMBL15089136 0.90 PDE6D (0.43) PDE6DKDM4EALDH1A1GAAHTR1A

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