SCHEMBL9525982

SCHEMBL9525982

COc1cc(Cl)nc(CCNC(=O)NS(=O)(=O)c2ccccc2C(=O)O)n1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.41
CA9 Q16790 7/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38
FBP1 P09467 1/20 0.38

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
SCHEMBL10505830 0.83 CA12 (0.44) CA12CA9CA1CA2SMN1; SMN2
SCHEMBL119097 0.81 GAA (0.52) CA12CA9CA1CA2ALDH1A1
SCHEMBL29371340 0.81 GAA (0.52) CA12CA9CA1CA2ALDH1A1
SCHEMBL7628463 0.78 SMN1; SMN2 (0.44) CA12CA9CA1CA2ALDH1A1
SCHEMBL9525989 0.77 ALDH1A1 (0.40) CA12CA9CA1CA2ALDH1A1
SCHEMBL10469643 0.76 GAA (0.59) CA12CA9CA1CA2KMT2A
Chlorimuron Ethyl SCHEMBL9422513 0.76 ALDH1A1 (0.45) CA12CA9ALDH1A1SMN1; SMN2GAA
SCHEMBL10504907 0.75 KMT2A (0.49) CA9CA1CA2ALDH1A1SMN1; SMN2
SCHEMBL9525964 0.74 CA12 (0.41) CA12CA9CA1CA2ALDH1A1
SCHEMBL4790548 0.74 SMN1; SMN2 (0.40) CA12CA9CA1CA2ALDH1A1

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
EP-0546082-A1 HERBICIDAL PYRROLESULFONYLUREAS. DU PONT (US) 1993-06-16 EP disclosed