SCHEMBL10654750

SCHEMBL10654750

O=[N+]([O-])c1ccc(S(=O)(=O)CC(O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.50
CA1 P00915 6/20 0.50
CA12 O43570 6/20 0.50
CA9 Q16790 6/20 0.50
CA14 Q9ULX7 6/20 0.50
ALDH1A1 P00352 4/20 0.50
CA3 P07451 3/20 0.50
CA4 P22748 3/20 0.50
CA6 P23280 3/20 0.50
CA5A P35218 3/20 0.50
CA7 P43166 3/20 0.50
CA13 Q8N1Q1 3/20 0.50
CA5B Q9Y2D0 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MITF O75030 2/20 0.50
MAPT P10636 2/20 0.50
RAB9A P51151 2/20 0.50
MMP2 P08253 2/20 0.50
KMT2A Q03164 2/20 0.50
HSD11B1 P28845 1/20 0.50

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
SCHEMBL29072722 0.79 HSD11B1 (0.59) CA2CA1CA12CA9CA14
SCHEMBL28402747 0.79 HSD11B1 (0.59) CA2CA1CA12CA9CA14
SCHEMBL28402748 0.79 HSD11B1 (0.59) CA2CA1CA12CA9CA14
SCHEMBL9702100 0.79 CA1 (0.55) CA2CA1CA12CA9CA14
SCHEMBL30423587 0.78 SLC1A3 (0.52) CA2CA1CA12CA9CA14
SCHEMBL7868823 0.78 SLC1A3 (0.52) CA2CA1CA12CA9CA14
SCHEMBL12237253 0.78 ALDH1A1 (0.53) CA2CA1CA12CA9CA14
SCHEMBL4253160 0.78 CA2 (0.59) CA2CA1CA12CA9CA14
SCHEMBL19126866 0.78 CA2 (0.59) CA2CA1CA12CA9CA14
SCHEMBL19970090 0.77 MAPT (0.47) CA2CA1CA12CA9CA14

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-0184660-B1 MONOCYCLIC BIS-OXYETHYLSULFONYL-BENZENES AND PROCESS FOR THEIR PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1988-04-06 EP disclosed
EP-0184660-A1 Monocyclic bis-oxyethylsulfonyl-benzenes and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1986-06-18 EP disclosed