SCHEMBL15088946

SCHEMBL15088946

c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccc(-c5ccccc5)cc4c4c5c(ccc43)-c3cccc4c(-c6ccccc6)ccc(c34)N5c3ccccc3)c2)cc1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL15088935 0.87 METAP1 (0.32)
SCHEMBL15088947 0.86 PDE6D (0.33) PDE6DKDM4EALDH1A1MAPTHPGD
SCHEMBL15089298 0.86 PDE6D (0.39) PDE6D
SCHEMBL15088957 0.85 MEN1 (0.34) PDE6DKDM4EALDH1A1MAPTHPGD
SCHEMBL15088964 0.84 PDE6D (0.35) PDE6DKDM4EL3MBTL1
SCHEMBL15088945 0.83 PDE6D (0.33) PDE6DALDH1A1
SCHEMBL15088939 0.83 PDE6D (0.37) PDE6DKDM4EL3MBTL1
SCHEMBL15088820 0.81 KDM4E (0.30) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL15089069 0.81 PDE6D (0.33) PDE6D
SCHEMBL15088936 0.81 GRM5 (0.36) MAPTTDP1L3MBTL1

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