SCHEMBL6607216

SCHEMBL6607216

COc1ncc(/C(C#N)=C/c2c(Cl)cncc2Cl)cc1OC1Cc2ccccc2C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.38
PDE4A P27815 7/20 0.38
PDE4C Q08493 7/20 0.38
PDE4D Q08499 7/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
RECQL P46063 1/20 0.36
HIF1A Q16665 1/20 0.36
EGFR P00533 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
NOX1 Q9Y5S8 1/20 0.35
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL6607223 1.00 PDE4B (0.38) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL6608561 0.91 PDE4B (0.33) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL6605364 0.87 PDE4D (0.43) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL6605361 0.87 PDE4D (0.43) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL6606448 0.85 EGFR (0.44) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL6606444 0.85 EGFR (0.44) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL6609424 0.84 CHEK1 (0.35) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL6606975 0.84 CHEK1 (0.35) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL6612839 0.83 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL6612837 0.83 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882714-B1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS PHARMACEUTICAL CO (JP) 2004-03-03 EP disclosed
EP-0882714-A1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS Pharmaceutical Co., Ltd. (JP) 1998-12-09 EP disclosed