SCHEMBL28367809

SCHEMBL28367809

COc1ccc(CN2CNC(C=O)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
DRD4 P21917 4/20 0.45
CMA1 P23946 1/20 0.43
PTGIR P43119 1/20 0.43
MAPT P10636 2/20 0.42
HRH2 P25021 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
MMP1 P03956 1/20 0.41
MMP13 P45452 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
SCHEMBL28364462 0.82 ALDH1A1 (0.42) SIGMAR1DRD4KDM4EGAAMEN1
SCHEMBL28023906 0.79 MMP1 (0.46) SIGMAR1SMN1; SMN2KDM4EALDH1A1MMP1
SCHEMBL28368556 0.74 SIGMAR1 (0.50) SIGMAR1MAPTKDM4EGAAALDH1A1
SCHEMBL493570 0.72 SIGMAR1 (0.58) SIGMAR1SMN1; SMN2PTGIRMEN1KMT2A
SCHEMBL4771166 0.72 SIGMAR1 (0.58) SIGMAR1SMN1; SMN2DRD4HRH2
SCHEMBL14198701 0.71 KDM4E (0.57) SIGMAR1DRD4PTGIRHRH2KDM4E
SCHEMBL28364395 0.70 CMA1 (0.44) SIGMAR1CMA1MAPTHRH2KDM4E
SCHEMBL22674287 0.70 DRD4 (0.49) SIGMAR1SMN1; SMN2DRD4PTGIRHRH2
SCHEMBL22674824 0.70 DRD4 (0.49) SIGMAR1SMN1; SMN2DRD4PTGIRHRH2
SCHEMBL22674472 0.70 DRD4 (0.49) SIGMAR1SMN1; SMN2DRD4PTGIRHRH2

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-107216315-B Flavone imidazole compound and preparation method thereof 盐城师范学院 2020-03-17 CN claimed
CN-107216315-B Flavone imidazole compound and preparation method thereof 盐城师范学院 2020-03-17 CN disclosed