SCHEMBL27281167

SCHEMBL27281167

Cc1nn(C)c(S(N)(=O)=O)c1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.38
CA2 P00918 6/20 0.38
CA12 O43570 5/20 0.38
CA9 Q16790 5/20 0.38
CA14 Q9ULX7 3/20 0.38
KDM4E B2RXH2 3/20 0.36
PLAT P00750 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
GRM6 O15303 1/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
STAT3 P40763 2/20 0.31
MAPT P10636 3/20 0.30
HPGD P15428 2/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
THRB P10828 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL10578072 0.83 L3MBTL1 (0.46) CA1CA2CA12CA9CA14
SCHEMBL10578960 0.81 PDE4D (0.44) CA1CA2CA12CA9CA14
SCHEMBL10576979 0.79 CA12 (0.39) CA1CA2CA12CA9CA14
SCHEMBL10574711 0.78 KDM4E (0.42) CA1CA2CA12CA9CA14
SCHEMBL10720592 0.77 GABRP (0.39) CA1CA2CA12CA9KDM4E
SCHEMBL16817685 0.74 KDM4E (0.38) KDM4EPLATL3MBTL1GRM6CYP2C9
SCHEMBL10204136 0.68 CA2 (0.37) CA1CA2CA12CA9CA14
SCHEMBL10745258 0.67 KDM4E (0.37) CA1CA2CA12CA9CA14
SCHEMBL8629678 0.67 CA1 (0.39) CA1CA2CA12CA9CA14
SCHEMBL10743962 0.67 MAPT (0.39) CA1CA2CA12CA9CA14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1015107-B Process for producing pyrimidine or triazine derivative TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1991-12-18 CN disclosed
CN-1051731-A Herbicidal compound, its preparation method and methods for using them TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1991-05-29 CN disclosed
CN-86107113-A Herbicidal compounds, process for their preparation and their use 1987-05-27 CN disclosed