SCHEMBL21676086

SCHEMBL21676086

c1ccc(-c2ccc(-n3c4c5ccccc5ccc4c4ccc5c(c6ccccc6n5-c5cc6c7c(cccc7c5)-c5ccccc5-6)c43)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.33
ANPEP P15144 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
MAPK14 Q16539 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
SCHEMBL21676179 0.94 PDE6D (0.33) PDE6DANPEPL3MBTL1ALDH1A1HPGD
SCHEMBL21676067 0.93 PDE10A (0.32) ANPEPL3MBTL1ALDH1A1HPGDTSHR
SCHEMBL21676151 0.93 PDE6D (0.35) PDE6DANPEPL3MBTL1ALDH1A1HPGD
SCHEMBL21676122 0.92 PDE6D (0.33) PDE6DANPEPL3MBTL1ALDH1A1HPGD
SCHEMBL21676061 0.92 PDE6D (0.33) PDE6DANPEPL3MBTL1ALDH1A1HPGD
SCHEMBL21676079 0.91 ANPEP (0.32) ANPEP
SCHEMBL21676173 0.90 L3MBTL1 (0.35) PDE6DANPEPL3MBTL1ALDH1A1HPGD
SCHEMBL21566330 0.88 L3MBTL1 (0.41) PDE6DL3MBTL1ALDH1A1KDM4EATM
SCHEMBL21676087 0.87 L3MBTL1 (0.36) ANPEPL3MBTL1ALDH1A1HPGDTSHR
SCHEMBL18619144 0.87 PDE6D (0.31) PDE6D

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-2020026133-A1 POLYCYCLIC COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2020-02-06 WO disclosed