SCHEMBL17033906

SCHEMBL17033906

c1ccc(-c2cccc(-c3ccnc(-n4c5ccccc5c5ccc6c(cc7c8ccccc8c8ccccc8n76)c54)c3)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
COMT P21964 1/20 0.34
PTPN1 P18031 2/20 0.33
USP30 Q70CQ3 2/20 0.31
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL17033913 0.99 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL17033431 0.98 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL17033742 0.88 KDM4E (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL17033421 0.86 KDM4E (0.34) KDM4ETSHRHSD17B10
SCHEMBL17033904 0.85 KMO (0.38) TSHRHSD17B10
SCHEMBL17033873 0.84 KMO (0.38) TSHR
SCHEMBL16186877 0.84 COMT (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL17033648 0.84 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL17033890 0.84 PDK2 (0.32) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL17033852 0.83 PDE4A (0.37) 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