SCHEMBL31385162

SCHEMBL31385162

Nc1nc2ccc(CBr)cc2s1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.70
NPC1 O15118 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
MAPT P10636 1/20 0.61
AXL P30530 1/20 0.56
GFER P55789 1/20 0.56
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CYP3A4 P08684 5/20 0.51
ALDH1A1 P00352 3/20 0.51
PI4KA P42356 3/20 0.51
PI4KB Q9UBF8 3/20 0.51
SCN4A P35499 2/20 0.51
HSD17B10 Q99714 2/20 0.51
PIK3CA P42336 2/20 0.51
CYP1A2 P05177 2/20 0.51
EPHX2 P34913 1/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL13780339 0.85 RAB9A (0.81) RAB9ANPC1SMN1; SMN2MAPTAXL
SCHEMBL3113690 0.84 RAB9A (0.72) RAB9ANPC1SMN1; SMN2MAPTAXL
SCHEMBL28625232 0.82 RAB9A (0.69) RAB9ANPC1SMN1; SMN2MAPTAXL
SCHEMBL30101727 0.82 RAB9A (0.69) RAB9ANPC1SMN1; SMN2MAPTAXL
SCHEMBL785395 0.82 RAB9A (0.70) RAB9ANPC1SMN1; SMN2MAPTAXL
SCHEMBL1913552 0.82 RAB9A (0.70) RAB9ANPC1SMN1; SMN2MAPTAXL
SCHEMBL142514 0.82 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTAXL
SCHEMBL27899294 0.82 RAB9A (0.70) RAB9ANPC1SMN1; SMN2MAPTAXL
SCHEMBL11837560 0.81 RAB9A (0.69) RAB9ANPC1SMN1; SMN2MAPTAXL
SCHEMBL5164106 0.79 RAB9A (0.66) RAB9ANPC1SMN1; SMN2MAPTAXL

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
CN-119119035-A RIPK1 kinase target inhibitor and preparation method and application thereof 中山大学 2024-12-13 CN disclosed