SCHEMBL8079598

SCHEMBL8079598

N#CC(=NNc1c(Cl)cc(C(F)(F)F)cc1Cl)c1ccc(C#N)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
PKM P14618 1/20 0.35
RAPGEF3 O95398 3/20 0.35
RAPGEF4 Q8WZA2 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
DGAT1 O75907 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 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
SCHEMBL7736234 0.82 RAPGEF3 (0.38) NPSR1RAPGEF3RAPGEF4L3MBTL1MAPT
SCHEMBL7736233 0.82 RAPGEF3 (0.38) NPSR1RAPGEF3RAPGEF4L3MBTL1MAPT
SCHEMBL7744125 0.82 NPSR1 (0.43) NPSR1ALDH1A1GAAHTTRAPGEF3
SCHEMBL7744122 0.82 NPSR1 (0.43) NPSR1ALDH1A1GAAHTTRAPGEF3
SCHEMBL8210065 0.76 MAPT (0.41) NPSR1ALDH1A1GAAHTTRAPGEF3
SCHEMBL8210068 0.76 MAPT (0.41) NPSR1ALDH1A1GAAHTTRAPGEF3
SCHEMBL7744114 0.72 KIF11 (0.39) RAPGEF3RAPGEF4L3MBTL1MAPT
SCHEMBL7744112 0.72 KIF11 (0.39) RAPGEF3RAPGEF4L3MBTL1MAPT
SCHEMBL6258551 0.70 RAPGEF3 (0.38) ALDH1A1GAAHTTRAPGEF3RAPGEF4
SCHEMBL5743661 0.67 GAA (0.37) ALDH1A1GAAHTTRAPGEF3RAPGEF4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2000256322-A CYANOMETHYLENE HYDRAZINE COMPOUND AND PEST CONTROL AGENT OTSUKA CHEM CO LTD 2000-09-19 JP disclosed