SCHEMBL30101658

SCHEMBL30101658

CC1CCCN(Cc2ccc3nc(N)sc3c2)C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
RAB9A P51151 3/20 0.51
NPC1 O15118 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PCSK9 Q8NBP7 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
ILK Q13418 3/20 0.47
DRD2 P14416 8/20 0.45
KCNH2 Q12809 6/20 0.45
MAPT P10636 1/20 0.45
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PI4KA P42356 1/20 0.41
PIK3CG P48736 1/20 0.41
PI4KB Q9UBF8 1/20 0.41

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
SCHEMBL28849872 1.00 LMNA (0.52) LMNARAB9ANPC1SMN1; SMN2PCSK9
SCHEMBL28636881 0.85 RAB9A (0.56) RAB9ANPC1SMN1; SMN2HRH3ILK
SCHEMBL30101607 0.78 ILK (0.64) LMNARAB9ANPC1SMN1; SMN2ILK
SCHEMBL28849842 0.78 ILK (0.64) LMNARAB9ANPC1SMN1; SMN2ILK
SCHEMBL28849853 0.78 RAB9A (0.62) RAB9ANPC1SMN1; SMN2ILKDRD2
SCHEMBL30101763 0.78 RAB9A (0.62) RAB9ANPC1SMN1; SMN2ILKDRD2
SCHEMBL30101637 0.75 RAB9A (0.55) RAB9ANPC1SMN1; SMN2ILKDRD2
SCHEMBL17747833 0.75 RAB9A (0.61) RAB9ANPC1SMN1; SMN2ILKDRD2
SCHEMBL28849859 0.75 RAB9A (0.55) RAB9ANPC1SMN1; SMN2ILKDRD2
SCHEMBL6189062 0.74 ALDH1A1 (0.59) LMNAHRH3ALDH1A1

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
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