SCHEMBL28253259

SCHEMBL28253259

COc1ccc(CN2CC(=O)Oc3ccc([N+](=O)[O-])cc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.45
KCNH2 Q12809 1/20 0.45
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
DRD4 P21917 1/20 0.43
ACHE P22303 1/20 0.43
MEN1 O00255 1/20 0.42
CRHBP P24387 1/20 0.42
KMT2A Q03164 1/20 0.42
CRHR2 Q13324 1/20 0.42
XDH P47989 1/20 0.41
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
EGFR P00533 1/20 0.40
IGF1R P08069 1/20 0.40

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
SCHEMBL7032529 0.75 KCNJ1 (0.51) KCNJ1KCNH2MAPTSMN1; SMN2ACHE
SCHEMBL5517957 0.75 MAPT (0.50) KCNJ1KCNH2MAPTSMN1; SMN2DRD4
SCHEMBL18787069 0.74 ACHE (0.52) KCNJ1KCNH2MAPTSMN1; SMN2DRD4
SCHEMBL31298890 0.74 ACHE (0.52) KCNJ1KCNH2MAPTSMN1; SMN2ACHE
SCHEMBL2616910 0.74 KCNJ1 (0.45) KCNJ1KCNH2MAPTSMN1; SMN2DRD4
SCHEMBL13007729 0.74 ACHE (0.44) KCNJ1KCNH2MAPTSMN1; SMN2ACHE
SCHEMBL190557 0.74 ACHE (0.48) KCNJ1KCNH2MAPTSMN1; SMN2ACHE
SCHEMBL24661328 0.72 ALDH1A1 (0.49) KCNJ1KCNH2MAPTSMN1; SMN2MEN1
SCHEMBL9143535 0.70 SIRT2 (0.46) KCNJ1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL447107 0.70 ACHE (0.50) KCNJ1KCNH2MAPTSMN1; SMN2ACHE

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-108727367-A Benzoxazinones containing pyridopyrimidine dione and its preparation method and application and herbicidal composition 山东先达农化股份有限公司 2018-11-02 CN disclosed