SCHEMBL6609024

SCHEMBL6609024

COc1ccc(C=C(C#N)c2cccc(C(=O)O)c2)nc1OC1Cc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.46
PDE4B Q07343 7/20 0.46
PDE4C Q08493 7/20 0.46
PDE4D Q08499 7/20 0.46
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
NPSR1 Q6W5P4 3/20 0.40
KDM4E B2RXH2 2/20 0.40
PTPN7 P35236 2/20 0.36
PTPN12 Q05209 2/20 0.36
PTPN22 Q9Y2R2 2/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
RECQL P46063 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL6609021 1.00 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6610544 0.92 PDE4D (0.39) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6610539 0.92 PDE4D (0.39) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6606525 0.89 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6606521 0.89 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6604955 0.84 NPC1 (0.43) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6604946 0.84 NPC1 (0.43) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6609752 0.84 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6609749 0.84 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6608404 0.81 PDE4D (0.40) PDE4APDE4BPDE4CPDE4DL3MBTL1

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