SCHEMBL6608397

SCHEMBL6608397

COC(=O)c1cccc(C(C#N)=Cc2cc(OC3Cc4ccccc4C3)c(OC)cn2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.41
PDE4A P27815 6/20 0.41
PDE4C Q08493 6/20 0.41
PDE4D Q08499 6/20 0.41
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
NOX1 Q9Y5S8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RECQL P46063 2/20 0.35
HIF1A Q16665 1/20 0.35
EGFR P00533 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35

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
SCHEMBL6608388 1.00 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL6609749 0.92 PDE4A (0.48) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL6609752 0.92 PDE4A (0.48) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL6607203 0.89 PDE4D (0.42) PDE4BPDE4APDE4CPDE4D
SCHEMBL6607210 0.89 PDE4D (0.42) PDE4BPDE4APDE4CPDE4D
SCHEMBL6605043 0.84 MAPT (0.43) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL6605036 0.84 MAPT (0.43) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL6610539 0.84 PDE4D (0.39) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL6610544 0.84 PDE4D (0.39) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL6609657 0.83 MAPT (0.41) PDE4BPDE4APDE4CPDE4DMAPT

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 3 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
US-5935977-A PHOSPHODIESTERASE IV INHIBITORS, TUMOR NECROSIS FACTOR-ALPHA PRODUCTION INHIBITORS; TREATING INFLAMMATORY AND AUTOIMMUNE DISEASES SS PHARMACEUTICAL CO., LTD. (JP) 1999-08-10 US disclosed
EP-0882714-A1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS Pharmaceutical Co., Ltd. (JP) 1998-12-09 EP disclosed