SCHEMBL28625232

SCHEMBL28625232

CCN(CC)Cc1ccc2nc(N)sc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.69
NPC1 O15118 3/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
MAPT P10636 2/20 0.57
CYP3A4 P08684 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HSD17B10 Q99714 2/20 0.52
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
PIK3CA P42336 5/20 0.49
PI4KA P42356 5/20 0.49
PI4KB Q9UBF8 5/20 0.49
PIK3CD O00329 4/20 0.49
PIK3CB P42338 4/20 0.49
PIK3CG P48736 4/20 0.49
SCN4A P35499 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
AXL P30530 1/20 0.49
GFER P55789 1/20 0.49

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
SCHEMBL30101727 1.00 RAB9A (0.69) RAB9ANPC1SMN1; SMN2MAPTCYP3A4
SCHEMBL11837560 0.84 RAB9A (0.69) RAB9ANPC1SMN1; SMN2MAPTCYP3A4
SCHEMBL31385162 0.82 RAB9A (0.70) RAB9ANPC1SMN1; SMN2MAPTCYP3A4
SCHEMBL142514 0.82 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTCYP3A4
SCHEMBL113955 0.80 RAB9A (0.76) RAB9ANPC1SMN1; SMN2MAPTCYP3A4
SCHEMBL13780339 0.79 RAB9A (0.81) RAB9ANPC1SMN1; SMN2MAPTCYP3A4
SCHEMBL3113690 0.77 RAB9A (0.72) RAB9ANPC1SMN1; SMN2MAPTCYP3A4
SCHEMBL9762807 0.77 RAB9A (0.71) RAB9ANPC1SMN1; SMN2MAPTCYP3A4
SCHEMBL8656868 0.76 RAB9A (0.69) RAB9ANPC1SMN1; SMN2MAPTCYP3A4
SCHEMBL17507167 0.76 RAB9A (0.69) RAB9ANPC1SMN1; SMN2MAPTCYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115109011-B Benzothiazole compound, preparation method and application 河北师范大学 2023-12-15 CN disclosed
CN-115109011-A Benzothiazole compound, preparation method and application 河北师范大学 2022-09-27 CN disclosed
CN-108715589-B Coumarin derivative used as caspase-3 activator and application thereof 华侨大学 2021-04-20 CN disclosed
CN-109265453-A It is a kind of as the semicarbazones analog derivative of caspase-3 activator and its application 华侨大学 2019-01-25 CN disclosed