SCHEMBL9200860

SCHEMBL9200860

CC1(C)Oc2ccc(S(=O)(=O)c3ccccc3)cc2[C@@H](N)[C@@H]1O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 8/20 0.54
KCNA5 P22460 6/20 0.42
KCNE1 P15382 5/20 0.41
KCNQ1 P51787 5/20 0.41
HTR6 P50406 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
SCHEMBL9205841 1.00 ABCC9 (0.54) ABCC9KCNA5KCNE1KCNQ1HTR6
SCHEMBL9200759 0.84 KCNE1 (0.45) ABCC9KCNA5KCNE1KCNQ1
SCHEMBL9200746 0.84 KCNE1 (0.45) ABCC9KCNA5KCNE1KCNQ1
SCHEMBL9200749 0.84 KCNE1 (0.45) ABCC9KCNA5KCNE1KCNQ1
SCHEMBL9869923 0.82 ABCC9 (0.52) ABCC9KCNA5KCNE1KCNQ1HTR6
SCHEMBL9203130 0.82 ABCC9 (0.52) ABCC9KCNA5KCNE1KCNQ1HTR6
SCHEMBL9869911 0.82 ABCC9 (0.52) ABCC9KCNA5KCNE1KCNQ1HTR6
SCHEMBL9200400 0.81 KCNE1 (0.45) ABCC9KCNA5KCNE1KCNQ1
SCHEMBL9200392 0.81 KCNE1 (0.45) ABCC9KCNA5KCNE1KCNQ1
SCHEMBL9200412 0.81 KCNE1 (0.45) ABCC9KCNA5KCNE1KCNQ1

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
EP-0547523-B1 Ethanolates of 6-sulfonylsubstituted 3-hydroxychromanes and their use as inhalation means for illnesses HOECHST AG (DE) 1995-05-17 EP disclosed
US-5310753-A Ethanol adducts of 6-sulfonyl-substituted 3-hydroxy-chromans and their use as inhalants in diseases HOECHST AKTIENGESELLSCHAFT (DE) 1994-05-10 US disclosed
EP-0547523-A1 Ethanolates of 6-sulfonylsubstituted 3-hydroxychromanes and their use as inhalation means for illnesses HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-23 EP disclosed