SCHEMBL6606537

SCHEMBL6606537

COc1ccc(C(C#N)=Cc2c(Cl)c[n+]([O-])cc2Cl)nc1OC1Cc2ccccc2C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.34
PDE4A P27815 6/20 0.34
MAPT P10636 6/20 0.34
PDE4C Q08493 5/20 0.34
PDE4D Q08499 5/20 0.34
KDM4E B2RXH2 4/20 0.34
NPSR1 Q6W5P4 3/20 0.34
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HTT P42858 2/20 0.33
ATM Q13315 1/20 0.32
EGFR P00533 1/20 0.32
IGF1R P08069 1/20 0.32
IGF2R P11717 1/20 0.32
CDC7 O00311 1/20 0.32
PLK4 O00444 1/20 0.32
CHEK1 O14757 1/20 0.32
PDPK1 O15530 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
SCHEMBL6606520 0.89 PDE4B (0.42) PDE4BPDE4AMAPTPDE4CPDE4D
SCHEMBL6606526 0.89 PDE4B (0.42) PDE4BPDE4AMAPTPDE4CPDE4D
SCHEMBL6606341 0.85 MAPT (0.37) PDE4BPDE4AMAPTPDE4CPDE4D
SCHEMBL6607496 0.84 PDE4B (0.37) PDE4BPDE4AMAPTPDE4CPDE4D
SCHEMBL6609487 0.80 MAPT (0.41) MAPTKDM4ENPSR1ALDH1A1TDP1
SCHEMBL6609482 0.80 MAPT (0.41) MAPTKDM4ENPSR1ALDH1A1TDP1
SCHEMBL6608561 0.79 PDE4B (0.33) PDE4BPDE4AMAPTPDE4CPDE4D
SCHEMBL6607423 0.79 KDM4E (0.40) PDE4BPDE4AMAPTPDE4CPDE4D
SCHEMBL6607425 0.79 KDM4E (0.40) PDE4BPDE4AMAPTPDE4CPDE4D
SCHEMBL6611092 0.76 PDE4D (0.43) PDE4BPDE4APDE4CPDE4D

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