SCHEMBL9525964

SCHEMBL9525964

CCN(C(=O)NS(=O)(=O)c1ccccc1C(=O)O)c1nc(Cl)cc(OC)n1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.41
CA9 Q16790 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
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
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.36
RAPGEF3 O95398 1/20 0.36

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
SCHEMBL9534581 0.92 ALDH1A1 (0.42) CA12CA9SMN1; SMN2ALDH1A1
Chlorimuron Ethyl SCHEMBL9451058 0.87 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4790548 0.86 SMN1; SMN2 (0.40) CA12CA9SMN1; SMN2ALDH1A1CA1
SCHEMBL10505840 0.81 CA1 (0.45) CA12CA9SMN1; SMN2CA1CA2
Pyrazon SCHEMBL9521968 0.80 OXTR (0.34) ALDH1A1
SCHEMBL7628463 0.80 SMN1; SMN2 (0.44) CA12CA9SMN1; SMN2ALDH1A1CA1
SCHEMBL119097 0.76 GAA (0.52) CA12CA9SMN1; SMN2ALDH1A1CA1
SCHEMBL29371340 0.76 GAA (0.52) CA12CA9SMN1; SMN2ALDH1A1CA1
SCHEMBL9525982 0.74 CA12 (0.41) CA12CA9SMN1; SMN2ALDH1A1CA1
SCHEMBL4280858 0.74 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MEN1KMT2A

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