SCHEMBL15088944

SCHEMBL15088944

c1ccc(-c2ccc3c(c2)c2c4c(ccc2n3-c2ccncc2)-c2ccc(-c3ccccc3)c3cccc(c23)N4c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.37
MEN1 O00255 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE6D O43924 1/20 0.32
IMPDH2 P12268 1/20 0.32
PRKCI P41743 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ATM Q13315 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
SCHEMBL15088964 0.94 PDE6D (0.35) PDE6DKDM4EATML3MBTL1
SCHEMBL15088939 0.93 PDE6D (0.37) PDE6DKDM4EATML3MBTL1
SCHEMBL15088974 0.89 KDM4E (0.35) PDE6DKDM4EATML3MBTL1
SCHEMBL15088945 0.89 PDE6D (0.33) HSP90AA1PDE6DATM
SCHEMBL15089068 0.86 PDE6D (0.32) PDE6D
SCHEMBL15088950 0.86 KDM4E (0.37) PDE6DKDM4EATML3MBTL1
SCHEMBL15088862 0.86 PIK3CA (0.38) PIK3CAMEN1HSP90AA1MAPTKMT2A
SCHEMBL15088959 0.86 ATM (0.34) HSP90AA1PDE6DKDM4EATML3MBTL1
SCHEMBL15089069 0.85 PDE6D (0.33) PDE6D
SCHEMBL15088948 0.85 GRM5 (0.35)

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