SCHEMBL15088909

SCHEMBL15088909

c1ccc(-c2ncnc(N3c4cc5c(cc4-c4cccc6cccc3c46)c3ccccc3n5-c3ncnc(-c4ccccc4)n3)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.35
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
MAPK1 P28482 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL15089110 0.94 PDE6D (0.36) PDE6DKDM4EATML3MBTL1
SCHEMBL15089262 0.92 PDE6D (0.38) PDE6D
SCHEMBL15088952 0.87 PDE6D (0.38) PDE6DKDM4EALDH1A1TP53MAPT
SCHEMBL15089028 0.87 PDE6D (0.33) PDE6D
SCHEMBL15088892 0.85 PDE6D (0.34) PDE6D
SCHEMBL15088843 0.84
SCHEMBL15089118 0.83 PDE6D (0.39) PDE6DKDM4EALDH1A1TP53MAPT
SCHEMBL15088951 0.82 PDE6D (0.37) PDE6DKDM4EALDH1A1MAPTHPGD
SCHEMBL15088907 0.82 ALDH1A1 (0.34) PDE6DKDM4EALDH1A1TP53HPGD
SCHEMBL26737164 0.81 PDE6D (0.38) PDE6DKDM4EALDH1A1TP53MAPT

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