SCHEMBL28838466

SCHEMBL28838466

CN1C(=O)c2cc(Cl)ccc2S1(=O)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 4/20 0.58
CA2 P00918 2/20 0.58
ABCC9 O60706 1/20 0.49
ABCC8 Q09428 1/20 0.49
KCNJ11 Q14654 1/20 0.49
KCNJ8 Q15842 1/20 0.49
CHEK1 O14757 1/20 0.46
DAPK3 O43293 1/20 0.46
MAP4K4 O95819 1/20 0.46
RET P07949 1/20 0.46
PIM1 P11309 1/20 0.46
LTK P29376 1/20 0.46
GRK5 P34947 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CDK8 P49336 1/20 0.46
PRKX P51817 1/20 0.46
LIMK1 P53667 1/20 0.46
CDK5 Q00535 1/20 0.46
ACVR1 Q04771 1/20 0.46
PTK2 Q05397 1/20 0.46

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
SCHEMBL13534186 0.86 CA9 (0.58) CA9CA2ABCC9ABCC8KCNJ11
SCHEMBL2616776 0.80 CA9 (0.59) CA9CA2ABCC9ABCC8KCNJ11
SCHEMBL13534170 0.79 CA9 (0.58) CA9CA2ABCC9ABCC8KCNJ11
SCHEMBL22226932 0.79 CA9 (0.58) CA9CA2ABCC9ABCC8KCNJ11
SCHEMBL29515603 0.77 CA9 (0.47) CA9CA2CHEK1DAPK3MAP4K4
SCHEMBL19193956 0.77 CA9 (0.47) CA9CA2CHEK1DAPK3MAP4K4
SCHEMBL8547101 0.75 CA9 (0.53) CA9CA2ABCC9ABCC8KCNJ11
SCHEMBL6992950 0.73 CA12 (0.65) CA9CA2CA12ADRA1DADRA1A
SCHEMBL30339085 0.73 CA9 (1.00) CA9CA2CA12LMNA
SCHEMBL107126 0.73 CA9 (1.00) CA9CA2CA12LMNA

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-106243046-B Preparation method of mesosulfuron-methyl 南京工业大学 2019-07-05 CN claimed
CN-106243046-A Preparation method of mesosulfuron-methyl 南京工业大学 2016-12-21 CN claimed
CN-106243046-B Preparation method of mesosulfuron-methyl 南京工业大学 2019-07-05 CN disclosed
CN-106243046-A Preparation method of mesosulfuron-methyl 南京工业大学 2016-12-21 CN disclosed