SCHEMBL17033852

SCHEMBL17033852

c1ccc(-c2ccnc(-n3c4ccccc4c4c5cc6c7ccccc7c7ccccc7n6c5ccc43)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
COMT P21964 1/20 0.35
KDM4E B2RXH2 3/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSPO P30536 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PIK3CA P42336 1/20 0.31
PDE5A O76074 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 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
SCHEMBL17033802 0.90 KDM4E (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL17033569 0.86 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL17033431 0.85 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL17033468 0.85 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16066221 0.85 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16066381 0.85 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL17033801 0.84 KDM4E (0.36) KDM4ETSHRHSD17B10ATML3MBTL1
SCHEMBL24367971 0.84 COMT (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL17033818 0.84 KDM4E (0.34) KDM4ETSHRHSD17B10
SCHEMBL16066822 0.84 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DPDE3B

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-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed