SCHEMBL21179397

SCHEMBL21179397

CCC(O)(c1ccccc1)c1ccc2nc(N)sc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.54
EPHX2 P34913 1/20 0.54
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
PIK3CA P42336 1/20 0.50
PI4KA P42356 1/20 0.50
PI4KB Q9UBF8 1/20 0.50
CYP3A4 P08684 4/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2D6 P10635 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
SCHEMBL6089162 0.82 SCN4A (0.60) SCN4AEPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL19618135 0.77 SCN4A (0.62) SCN4AEPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL27444083 0.77 SCN4A (0.66) SCN4AEPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL21179398 0.76 AXL (0.57) SCN4AEPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL111586 0.74 SCN4A (0.70) SCN4AEPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL31078908 0.73 CYP3A4 (0.49) SCN4AEPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL936317 0.72 SMN1; SMN2 (0.50) SMN1; SMN2CYP3A4ALDH1A1CYP2C19CYP2C9
SCHEMBL11702113 0.72 SCN4A (0.71) SCN4AEPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL11623432 0.71 SMN1; SMN2 (0.43) RAB9ANPC1SMN1; SMN2CYP3A4MAPT
SCHEMBL11118871 0.71 ACSS2 (0.43)

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