SCHEMBL13622324

SCHEMBL13622324

C=C(/N=C(/C(=O)OC)C(Cl)=C(N)N)c1ccc(F)nc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
DRD3 P35462 1/20 0.33
HTR5A P47898 2/20 0.32
KCNQ3 O43525 2/20 0.32
KCNQ2 O43526 2/20 0.32
EPHX2 P34913 1/20 0.32
MAPK1 P28482 2/20 0.31
ABL1 P00519 1/20 0.31
MEN1 O00255 1/20 0.30
AHR P35869 1/20 0.30
KMT2A Q03164 1/20 0.30
DGAT1 O75907 1/20 0.30
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL13622389 0.73 SMN1; SMN2 (0.37) MEN1KMT2AKDM4E
SCHEMBL13622361 0.71 ALDH1A1 (0.39) MAPK1ABL1MEN1KMT2AKDM4E
SCHEMBL13256628 0.71 ALDH1A1 (0.35)
SCHEMBL13622908 0.71 LMNA (0.41) MEN1KMT2AKDM4EL3MBTL1
SCHEMBL13622393 0.71 GSK3B (0.39)
SCHEMBL13622605 0.69 HCRTR1 (0.37) MAPK1MEN1KMT2A
SCHEMBL13256629 0.68 ALDH1A1 (0.32)
SCHEMBL13622400 0.68 ATAD2 (0.34) MEN1KMT2AL3MBTL1
SCHEMBL12786330 0.67
SCHEMBL13076204 0.67 SLC9A1 (0.34)

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
WO-2009138712-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-11-19 WO disclosed