SCHEMBL6607214

SCHEMBL6607214

COc1cnc(/C(C#N)=C/c2c(Cl)cncc2Cl)cc1OCCCCO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
KDM4E B2RXH2 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ATM Q13315 1/20 0.34
HTT P42858 1/20 0.34
EGFR P00533 2/20 0.33
IGF1R P08069 1/20 0.33
IGF2R P11717 1/20 0.33
LOX P28300 1/20 0.33
AOC3 Q16853 1/20 0.33
SRC P12931 1/20 0.33
LMNA P02545 2/20 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
SCHEMBL6607217 1.00 MAPT (0.36) MAPTKDM4ENPSR1ALDH1A1TDP1
SCHEMBL6606713 0.99 MAPT (0.35) MAPTKDM4ENPSR1ALDH1A1TDP1
SCHEMBL6606719 0.99 MAPT (0.35) MAPTKDM4ENPSR1ALDH1A1TDP1
SCHEMBL6605061 0.97 MAPT (0.36) MAPTKDM4ENPSR1ALDH1A1TDP1
SCHEMBL6605063 0.97 MAPT (0.36) MAPTKDM4ENPSR1ALDH1A1TDP1
SCHEMBL6605671 0.94 MAPT (0.37) MAPTKDM4ENPSR1ALDH1A1TDP1
SCHEMBL6605677 0.94 MAPT (0.37) MAPTKDM4ENPSR1ALDH1A1TDP1
SCHEMBL6605284 0.91 PDE4A (0.44) MAPTKDM4ENPSR1ALDH1A1TDP1
SCHEMBL6605292 0.91 PDE4A (0.44) MAPTKDM4ENPSR1ALDH1A1TDP1
SCHEMBL6606590 0.86 MAPT (0.37) 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