SCHEMBL21186404

SCHEMBL21186404

Nc1nc2cc(-c3ccccc3Cl)c(Oc3ccc(F)cc3Cl)cc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.47
GFER P55789 1/20 0.47
SLC6A2 P23975 3/20 0.39
SLC6A3 Q01959 3/20 0.39
SLC6A4 P31645 1/20 0.39
MAPT P10636 3/20 0.39
RAB9A P51151 3/20 0.39
TP53 P04637 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
HTT P42858 1/20 0.39
DRD2 P14416 2/20 0.37
KCNH2 Q12809 2/20 0.37
PIK3CA P42336 1/20 0.36
PI4KA P42356 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
HSD11B1 P28845 1/20 0.36
MAPK14 Q16539 1/20 0.35
LMNA P02545 2/20 0.35
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL21186400 0.89 AXL (0.47) AXLGFERSLC6A2SLC6A3SLC6A4
SCHEMBL21186250 0.82 AXL (0.50) AXLGFERSLC6A2SLC6A3SLC6A4
SCHEMBL23719807 0.81 HTT (0.47) AXLGFERMAPTRAB9ATP53
SCHEMBL21186004 0.81 AXL (0.49) AXLGFERSLC6A2SLC6A3SLC6A4
SCHEMBL21186235 0.81 AXL (0.49) AXLGFERSLC6A2SLC6A3SLC6A4
SCHEMBL21186237 0.80 ALDH1A1 (0.39) AXLGFERSLC6A2SLC6A3SLC6A4
SCHEMBL21186391 0.77 AXL (0.60) AXLGFERSLC6A2SLC6A3MAPT
SCHEMBL21186227 0.76 PLA2G7 (0.49) SLC6A2SLC6A3SLC6A4MAPTRAB9A
SCHEMBL25500841 0.73 RAB9A (0.44) AXLGFERSLC6A2SLC6A3SLC6A4
SCHEMBL21186395 0.72 MAPT (0.38) AXLGFERSLC6A2SLC6A3SLC6A4

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-2019141980-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 WO disclosed