SCHEMBL15089014

SCHEMBL15089014

c1ccc(-c2nc(-c3ccccc3)nc(N3c4cc5sc6ccccc6c5cc4-c4cccc5cccc3c45)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.37
SLC9A1 P19634 2/20 0.34
F9 P00740 1/20 0.32
CYP1A2 P05177 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
ATM Q13315 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ADORA2A P29274 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
SCHEMBL15089184 0.90 PDE6D (0.36) PDE6DSLC9A1F9CYP1A2ALDH1A1
SCHEMBL22944801 0.90 PDE6D (0.37) PDE6DCYP1A2ALDH1A1HPGDTP53
SCHEMBL22945334 0.90 PDE6D (0.37) PDE6DF9ALDH1A1MAPTHPGD
SCHEMBL22945977 0.89 PDE6D (0.38) PDE6DALDH1A1HPGDTP53TSHR
SCHEMBL22001629 0.89 CYP1A2 (0.34) SLC9A1F9CYP1A2ALDH1A1MAPT
SCHEMBL22945404 0.88 PDE6D (0.39) PDE6DSLC9A1F9ALDH1A1MAPT
SCHEMBL22945179 0.88 PDE6D (0.39) PDE6DSLC9A1CYP1A2ALDH1A1MAPT
SCHEMBL22945203 0.87 PDE6D (0.40) PDE6DSLC9A1F9ALDH1A1MAPT
SCHEMBL22944803 0.86 PDE6D (0.35) PDE6DSLC9A1ALDH1A1MAPTHPGD
SCHEMBL22945054 0.86 PDE6D (0.34) PDE6DCYP1A2ALDH1A1HPGDL3MBTL1

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