SCHEMBL21179449

SCHEMBL21179449

Nc1nc2ccc(Cc3ccc(F)cc3Cl)cc2s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.60
GFER P55789 1/20 0.60
RAB9A P51151 3/20 0.54
NPC1 O15118 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP3A4 P08684 2/20 0.46
KCNH2 Q12809 2/20 0.46
DRD2 P14416 1/20 0.46
MAPT P10636 1/20 0.46
HSD17B10 Q99714 2/20 0.44
ALOX15 P16050 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
APP P05067 3/20 0.43
EPHX2 P34913 1/20 0.43
SCN4A P35499 1/20 0.43
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL21186241 0.83 RAB9A (0.58) AXLGFERRAB9ANPC1SMN1; SMN2
SCHEMBL7130526 0.82 RAB9A (0.73) AXLGFERRAB9ANPC1SMN1; SMN2
SCHEMBL21186279 0.79 CYP2D6 (0.62) AXLGFERRAB9ANPC1SMN1; SMN2
SCHEMBL21186243 0.79 ALOX15 (0.42) AXLGFERRAB9ANPC1SMN1; SMN2
SCHEMBL13780339 0.79 RAB9A (0.81) AXLGFERRAB9ANPC1SMN1; SMN2
SCHEMBL78948 0.77 GFER (1.00) AXLGFERRAB9ANPC1SMN1; SMN2
SCHEMBL1913552 0.73 RAB9A (0.70) AXLGFERRAB9ANPC1SMN1; SMN2
SCHEMBL21186285 0.73 CYP3A4 (0.45) CYP3A4MAPTHSD17B10ALOX15CRHBP
SCHEMBL1601650 0.72 RAB9A (0.75) AXLGFERRAB9ANPC1SMN1; SMN2
SCHEMBL21186391 0.72 AXL (0.60) AXLGFERRAB9ANPC1SMN1; SMN2

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