SCHEMBL6609518

SCHEMBL6609518

COc1ccc(/C(C#N)=C/c2c(Cl)cncc2Cl)nc1OCCCO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.37
KDM4E B2RXH2 4/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 2/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 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
PDGFRA P16234 1/20 0.33
PDE4D Q08499 4/20 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
SCHEMBL6609522 1.00 MAPT (0.37) MAPTKDM4ENPSR1ALDH1A1TDP1
SCHEMBL6611260 0.97 MAPT (0.36) MAPTKDM4ENPSR1ALDH1A1TDP1
SCHEMBL6611254 0.97 MAPT (0.36) MAPTKDM4ENPSR1ALDH1A1TDP1
SCHEMBL6609888 0.96 MAPT (0.36) MAPTKDM4ENPSR1ALDH1A1TDP1
SCHEMBL6609893 0.96 MAPT (0.36) MAPTKDM4ENPSR1ALDH1A1TDP1
SCHEMBL6609086 0.95 MAPT (0.38) MAPTKDM4ENPSR1ALDH1A1TDP1
SCHEMBL6609082 0.95 MAPT (0.38) MAPTKDM4ENPSR1ALDH1A1TDP1
SCHEMBL8398005 0.92 PDE4D (0.40) MAPTKDM4ENPSR1ALDH1A1TDP1
SCHEMBL8398010 0.92 PDE4D (0.40) MAPTKDM4ENPSR1ALDH1A1TDP1
SCHEMBL6606085 0.88 MAPT (0.38) 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