SCHEMBL30101607

SCHEMBL30101607

CN1CCN(Cc2ccc3nc(N)sc3c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ILK Q13418 3/20 0.64
RAB9A P51151 3/20 0.58
NPC1 O15118 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
DRD2 P14416 12/20 0.56
KCNH2 Q12809 7/20 0.56
HTR1A P08908 1/20 0.52
HTR2A P28223 1/20 0.52
MAPT P10636 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
SCHEMBL28849842 1.00 ILK (0.64) ILKRAB9ANPC1SMN1; SMN2DRD2
SCHEMBL30101763 0.89 RAB9A (0.62) ILKRAB9ANPC1SMN1; SMN2DRD2
SCHEMBL28849853 0.89 RAB9A (0.62) ILKRAB9ANPC1SMN1; SMN2DRD2
SCHEMBL28636881 0.84 RAB9A (0.56) ILKRAB9ANPC1SMN1; SMN2DRD2
SCHEMBL30101637 0.84 RAB9A (0.55) ILKRAB9ANPC1SMN1; SMN2DRD2
SCHEMBL28849859 0.84 RAB9A (0.55) ILKRAB9ANPC1SMN1; SMN2DRD2
SCHEMBL17747833 0.84 RAB9A (0.61) ILKRAB9ANPC1SMN1; SMN2DRD2
SCHEMBL686551 0.79 ILK (0.76) ILKLMNA
SCHEMBL30101645 0.78 PIK3CA (0.57) ILKRAB9ANPC1SMN1; SMN2DRD2
SCHEMBL28849843 0.78 PIK3CA (0.57) ILKRAB9ANPC1SMN1; SMN2DRD2

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