SCHEMBL16067201

SCHEMBL16067201

c1ccc(-c2ccnc(-n3c4ccccc4c4ccc5c(c6ccccc6n6c7ccccc7cc56)c43)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
COMT P21964 1/20 0.33
LMNA P02545 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
PTPN1 P18031 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
MAPT P10636 1/20 0.31
PDE5A O76074 1/20 0.31
PDE1A P54750 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
SCHEMBL16067029 0.93 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16066765 0.92 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16067207 0.91 CYP11B1 (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16067204 0.89 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16066221 0.88 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16066857 0.87 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16066822 0.87 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16067161 0.87 KDM4E (0.34) KDM4EHPGDTSHRHSD17B10ALDH1A1
SCHEMBL16067183 0.86 KDM4E (0.32) KDM4ETSHRHSD17B10
SCHEMBL16066381 0.85 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-2014142488-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT INCLUDING SAME 주식회사 두산 (KR) 2014-09-18 WO disclosed