SCHEMBL21186391

SCHEMBL21186391

Nc1nc2ccc(Oc3ccc(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 4/20 0.56
NPC1 O15118 3/20 0.56
TP53 P04637 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 2/20 0.56
HTT P42858 2/20 0.56
CYP3A4 P08684 5/20 0.52
CYP1A2 P05177 3/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 2/20 0.52
SCN4A P35499 2/20 0.52
GAA P10253 2/20 0.52
SCN9A Q15858 2/20 0.52
GMNN O75496 1/20 0.52
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CYP2C9 P11712 1/20 0.52

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
SCHEMBL9722834 0.87 RAB9A (0.58) AXLGFERRAB9ANPC1TP53
SCHEMBL21186019 0.87 AXL (0.63) AXLGFERRAB9ANPC1TP53
SCHEMBL21186235 0.86 AXL (0.49) AXLGFERRAB9ANPC1TP53
SCHEMBL11109859 0.85 RAB9A (0.68) AXLGFERRAB9ANPC1TP53
SCHEMBL21186020 0.84 GFER (0.63) AXLGFERRAB9ANPC1TP53
SCHEMBL10694424 0.84 SCN4A (0.63) AXLGFERRAB9ANPC1TP53
SCHEMBL6067934 0.82 RAB9A (0.75) AXLGFERRAB9ANPC1TP53
SCHEMBL31114771 0.82 RAB9A (0.75) AXLGFERRAB9ANPC1TP53
SCHEMBL21186016 0.82 RAB9A (0.56) AXLGFERRAB9ANPC1TP53
SCHEMBL21186270 0.80 RAB9A (0.68) AXLGFERRAB9ANPC1TP53

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