SCHEMBL6606520

SCHEMBL6606520

COc1ccc(/C(C#N)=C/c2c(Cl)cncc2Cl)nc1OC1Cc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.42
PDE4D Q08499 6/20 0.42
PDE4A P27815 5/20 0.42
PDE4C Q08493 5/20 0.42
MAPT P10636 5/20 0.35
KDM4E B2RXH2 4/20 0.35
NPSR1 Q6W5P4 3/20 0.35
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 2/20 0.33
ATM Q13315 1/20 0.33
EGFR P00533 2/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
IGF1R P08069 1/20 0.33
IGF2R P11717 1/20 0.33
PDGFRB P09619 1/20 0.33

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
SCHEMBL6606526 1.00 PDE4B (0.42) PDE4BPDE4DPDE4APDE4CMAPT
SCHEMBL6606537 0.89 PDE4B (0.34) PDE4BPDE4DPDE4APDE4CMAPT
SCHEMBL6611085 0.87 PDE4D (0.43) PDE4BPDE4DPDE4APDE4C
SCHEMBL6611092 0.87 PDE4D (0.43) PDE4BPDE4DPDE4APDE4C
SCHEMBL6605174 0.84 CHEK1 (0.35) PDE4BPDE4DPDE4APDE4CMAPT
SCHEMBL6608418 0.84 CHEK1 (0.35) PDE4BPDE4DPDE4APDE4CMAPT
SCHEMBL6612837 0.84 PDE4B (0.41) PDE4BPDE4DPDE4APDE4CMAPT
SCHEMBL6612839 0.84 PDE4B (0.41) PDE4BPDE4DPDE4APDE4CMAPT
SCHEMBL6609482 0.83 MAPT (0.41) MAPTKDM4ENPSR1ALDH1A1TDP1
SCHEMBL6609487 0.83 MAPT (0.41) MAPTKDM4ENPSR1ALDH1A1TDP1

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