SCHEMBL29276255

SCHEMBL29276255

CCOC(=O)C(C)OC(=O)c1cc(N2C(=O)N(C)C(S)N(C)C2=O)c(F)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPOX P50336 3/20 0.47
BAZ2B Q9UIF8 1/20 0.36
BAZ2A Q9UIF9 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
GUSB P08236 1/20 0.32
GAA P10253 1/20 0.31

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
SCHEMBL25885269 0.90 PPOX (0.38) PPOXLMNAMAPTHPGDSMN1; SMN2
SCHEMBL29195265 0.85 PPOX (0.62) PPOXMAPTHPGDGAA
SCHEMBL24151456 0.82 PPOX (0.43) PPOXBAZ2BBAZ2ALMNAMAPT
SCHEMBL25884892 0.82 PPOX (0.42) PPOXBAZ2BBAZ2ALMNAMAPT
SCHEMBL29195326 0.81 PPOX (0.37) PPOXLMNAMAPTHPGDSMN1; SMN2
SCHEMBL25240516 0.79 PPOX (0.41) PPOXBAZ2BBAZ2ALMNAMAPT
SCHEMBL24152296 0.79 PPOX (0.41) PPOXBAZ2BBAZ2ALMNAMAPT
SCHEMBL29195275 0.78 PPOX (0.58) PPOXMAPTSMN1; SMN2GAA
SCHEMBL25310479 0.77 NOTUM (0.35) PPOXLMNAHPGDSMN1; SMN2
SCHEMBL25885050 0.77 L3MBTL1 (0.40) LMNAMAPTSMN1; SMN2

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-115103837-B Triazine benzoate compound and application thereof 沈阳中化农药化工研发有限公司 2023-12-29 CN disclosed
CN-113831299-B Benzoate compound and application thereof 沈阳中化农药化工研发有限公司 2023-12-01 CN disclosed