SCHEMBL6609065

SCHEMBL6609065

COc1cnc(/C=C(\C#N)c2ccccc2)cc1OC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDE4B Q07343 6/20 0.43
PDE4A P27815 6/20 0.43
PDE4D Q08499 5/20 0.43
PDE4C Q08493 4/20 0.43
PDE5A O76074 2/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE1C Q14123 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
RECQL P46063 1/20 0.41
HIF1A Q16665 1/20 0.41
EGFR P00533 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL6609067 1.00 MAPT (0.44) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL6609100 0.91 PDE4B (0.53) KDM4EL3MBTL1PDE4BPDE4APDE4D
SCHEMBL6609105 0.91 PDE4B (0.53) KDM4EL3MBTL1PDE4BPDE4APDE4D
SCHEMBL6605357 0.91 RECQL (0.54) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL6605351 0.91 RECQL (0.54) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL6607210 0.88 PDE4D (0.42) PDE4BPDE4APDE4DPDE4CPDE5A
SCHEMBL6607203 0.88 PDE4D (0.42) PDE4BPDE4APDE4DPDE4CPDE5A
SCHEMBL6609676 0.85 PDE4B (0.44) PDE4BPDE4APDE4DPDE4CPDE5A
SCHEMBL6609672 0.85 PDE4B (0.44) PDE4BPDE4APDE4DPDE4CPDE5A
SCHEMBL6606116 0.83 MAPT (0.47) MAPTKDM4ENPC1RAB9APDE4B

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