SCHEMBL15089244

SCHEMBL15089244

c1ccc(-n2c3ccc(-c4ccccn4)cc3c3cc4c(cc32)N(c2ccncc2)c2cccc3cccc-4c23)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
DHFR P00374 1/20 0.31
GRM5 P41594 2/20 0.31
MAPK14 Q16539 1/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.30
KCNH2 Q12809 1/20 0.30
PDE10A Q9Y233 1/20 0.30
MAPT P10636 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
SCHEMBL15089024 0.96 PDE6D (0.39) PDE6DKDM4EALDH1A1HTR1AHTR7
SCHEMBL15089239 0.94 PDE6D (0.44) PDE6DKDM4EALDH1A1HTR1AHTR7
SCHEMBL15089059 0.93 PDE6D (0.45) PDE6DKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL15089249 0.91 HTT (0.38) PDE6DHTR1AHTR7DHFRGRM5
SCHEMBL15089358 0.91 PDE6D (0.39) PDE6DHTR1AHTR7DHFRGRM5
SCHEMBL15089094 0.91 PDE6D (0.38) PDE6DKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL15088813 0.90 PDE6D (0.38) PDE6DKDM4EALDH1A1HTR1AHTR7
SCHEMBL15089354 0.90 KDM4E (0.39) PDE6DKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL15089143 0.89 PDE6D (0.45) PDE6DKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL15089360 0.89 PDE6D (0.35) PDE6DKDM4EHTR1AHTR7DHFR

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