SCHEMBL17033593

SCHEMBL17033593

c1ccc(-c2ccnc(-n3c4ccccc4c4cc5cc6c7ccccc7c7ccccc7n6c5cc43)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
KDM4E B2RXH2 3/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
COMT P21964 1/20 0.34
LMNA P02545 2/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
USP30 Q70CQ3 2/20 0.31
NPY5R Q15761 2/20 0.31
MEN1 O00255 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
SCHEMBL17033468 0.96 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16067011 0.91 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL17033409 0.90 KDM4E (0.38) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16066149 0.89 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16066847 0.88 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16066841 0.87 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16067220 0.87 COMT (0.34) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16066403 0.87 COMT (0.34) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL17033544 0.86 KDM4E (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL17033411 0.85 HSD17B10 (0.38) KDM4ETSHRHSD17B10ALDH1A1MAPT

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