SCHEMBL8480771

SCHEMBL8480771

CC1(C)Oc2ccc(Cl)cc2C(CS([NH])(=O)=O)C1O

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 4/20 0.56
KCNQ1 P51787 4/20 0.56
ABCC9 O60706 13/20 0.42

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
SCHEMBL8480778 0.88 KCNE1 (0.57) KCNE1KCNQ1ABCC9
SCHEMBL8476342 0.83 KCNE1 (0.49) KCNE1KCNQ1ABCC9
SCHEMBL8479222 0.80 KCNE1 (0.49) KCNE1KCNQ1ABCC9
SCHEMBL7464213 0.78 KCNE1 (0.52) KCNE1KCNQ1ABCC9
SCHEMBL8476346 0.76 KCNE1 (0.50) KCNE1KCNQ1ABCC9
SCHEMBL8476661 0.73 KCNA5 (0.46) KCNE1KCNQ1
SCHEMBL8480774 0.73 KCNE1 (0.60) KCNE1KCNQ1ABCC9
SCHEMBL7477965 0.73 KCNE1 (0.60) KCNE1KCNQ1ABCC9
SCHEMBL13825287 0.73 KCNE1 (0.56) KCNE1KCNQ1ABCC9
SCHEMBL9032544 0.72 KCNE1 (0.56) KCNE1KCNQ1ABCC9

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
US-5955607-A TREATING CARDIOVASCULAR AND GASTROINTESTINAL DISORDERS HOECHST MARION ROUSSEL DEUTSCHLAND (DE) 1999-09-21 US disclosed