SCHEMBL21676173

SCHEMBL21676173

c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c(c6c7ccccc7ccc6n5-c5cc6c7c(cccc7c5)-c5ccccc5-6)c43)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
PDE6D O43924 1/20 0.33
ANPEP P15144 1/20 0.33
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
HDAC4 P56524 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
SCHEMBL21676157 0.94 L3MBTL1 (0.41) L3MBTL1KDM4EATMANPEPALDH1A1
SCHEMBL21676158 0.93 PDE6D (0.35) L3MBTL1KDM4EATMPDE6DANPEP
SCHEMBL21676179 0.92 PDE6D (0.33) L3MBTL1KDM4EATMPDE6DANPEP
SCHEMBL21676122 0.92 PDE6D (0.33) L3MBTL1KDM4EATMPDE6DANPEP
SCHEMBL21676061 0.92 PDE6D (0.33) L3MBTL1KDM4EATMPDE6DANPEP
SCHEMBL21676174 0.90 ANPEP (0.34) L3MBTL1KDM4EATMANPEPALDH1A1
SCHEMBL21676086 0.90 PDE6D (0.33) L3MBTL1KDM4EATMPDE6DANPEP
SCHEMBL21566368 0.88 L3MBTL1 (0.45) L3MBTL1KDM4EATMPDE6DALDH1A1
SCHEMBL21676165 0.87 L3MBTL1 (0.39) L3MBTL1KDM4EATMANPEPALDH1A1
SCHEMBL21676148 0.87 ANPEP (0.35) L3MBTL1KDM4EATMANPEPALDH1A1

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