SCHEMBL15801509

SCHEMBL15801509

c1ccc(-c2ccnc(-n3c4ccccc4c4ccc5ccc6c(ccn6-c6ccccc6)c5c43)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 3/20 0.33
▸ PDE4B Q07343 3/20 0.33
▸ PDE4C Q08493 3/20 0.33
▸ PDE4D Q08499 3/20 0.33
▸ PDE3B Q13370 3/20 0.33
▸ PDE3A Q14432 3/20 0.33
▸ COMT P21964 1/20 0.33
▸ PDE5A O76074 2/20 0.33
▸ PDE1A P54750 2/20 0.33
▸ PDE1B Q01064 2/20 0.33
▸ PDE1C Q14123 2/20 0.33
▸ KHK P50053 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MAPK9 P45984 1/20 0.30
▸ MAPK10 P53779 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
SCHEMBL15801473 0.93 COMT (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16357426 0.91 COMT (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL15802184 0.91 COMT (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL15801476 0.88 KDM4E (0.31) KDM4EATML3MBTL1
SCHEMBL15802214 0.86 COMT (0.34) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL15073466 0.86 KDM4E (0.40) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16357487 0.86 COMT (0.37) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL15801493 0.86 MAPT (0.36) COMTKDM4EATML3MBTL1
SCHEMBL15801472 0.86 MAPK9 (0.34) KDM4EATML3MBTL1MAPK9MAPK10
SCHEMBL16357457 0.85 COMT (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-2014092354-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 (KR) 2014-06-19 — — WO disclosed
Send feedback