SCHEMBL21179398

SCHEMBL21179398

Nc1nc2ccc(C(O)(c3ccccc3)c3ccc(F)cc3)cc2s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.57
GFER P55789 1/20 0.57
SCN4A P35499 2/20 0.57
EPHX2 P34913 1/20 0.57
PIK3CA P42336 3/20 0.50
PI4KA P42356 2/20 0.50
PI4KB Q9UBF8 2/20 0.50
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
HTT P42858 2/20 0.47
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP3A4 P08684 3/20 0.46
CYP19A1 P11511 1/20 0.46
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2C9 P11712 2/20 0.44

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
SCHEMBL21179397 0.76 SCN4A (0.54) AXLGFERSCN4AEPHX2PIK3CA
SCHEMBL78948 0.75 GFER (1.00) AXLGFERSCN4AEPHX2PIK3CA
SCHEMBL11702113 0.75 SCN4A (0.71) AXLGFERSCN4AEPHX2PIK3CA
SCHEMBL27444083 0.74 SCN4A (0.66) AXLGFERSCN4AEPHX2PIK3CA
SCHEMBL1417399 0.74 SCN4A (1.00) AXLGFERSCN4AEPHX2PIK3CA
Fluorobenzene SCHEMBL27589692 0.73 RAB9A (0.76) AXLGFERSCN4AEPHX2PIK3CA
SCHEMBL21177812 0.73 AXL (0.60) AXLGFERSCN4AEPHX2PIK3CA
SCHEMBL1443989 0.72 RAB9A (0.61) RAB9ANPC1HTTSMN1; SMN2GAA
SCHEMBL813148 0.72 RAB9A (0.61) RAB9ANPC1HTTSMN1; SMN2GAA
SCHEMBL8655863 0.71 SCN4A (0.76) AXLGFERSCN4AEPHX2PIK3CA

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