SCHEMBL9500958

SCHEMBL9500958

CC(=O)S(=O)(=O)c1cc(C(=O)O)ccc1N

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.69
PKM P14618 1/20 0.47
LMNA P02545 1/20 0.44
KDM4E B2RXH2 5/20 0.41
GAA P10253 5/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
THRB P10828 3/20 0.41
HPGD P15428 3/20 0.41
HTT P42858 2/20 0.41
GFER P55789 2/20 0.41
PLEC Q15149 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NEU3 Q9UQ49 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL9500692 0.86 CDC25B (0.54) CDC25BPKMLMNAKDM4EGAA
SCHEMBL9195326 0.82 CDC25B (0.73) CDC25BPKMLMNAKDM4EGAA
SCHEMBL1363387 0.80 CDC25B (0.76) CDC25BPKMLMNAKDM4EGAA
SCHEMBL6554659 0.80 CDC25B (0.76) CDC25BPKMLMNAKDM4EGAA
SCHEMBL10607936 0.79 CDC25B (0.41) CDC25BPKMKDM4EGAAMAPT
SCHEMBL11860250 0.79 CDC25B (0.73) CDC25BPKMLMNAKDM4EGAA
SCHEMBL23704777 0.78 CDC25B (0.67) CDC25BPKMLMNAKDM4EGAA
SCHEMBL10954420 0.78 CDC25B (0.67) CDC25BPKMLMNAKDM4EGAA
SCHEMBL11860246 0.77 CDC25B (0.71) CDC25BPKMLMNAKDM4EGAA
SCHEMBL3950862 0.76 CDC25B (0.63) CDC25BPKMLMNAKDM4EGAA

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
EP-0312922-B1 OXETHYLSULFONYL-NITRO- OR -AMINO-BENZOIC ACIDS AND PROCESS FOR THEIR PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-02 EP disclosed
EP-0312922-A2 Oxethylsulfonyl-nitro- or -amino-benzoic acids and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1989-04-26 EP disclosed