SCHEMBL30479337

SCHEMBL30479337

O=S(=O)(Nc1nccs1)c1cc(Cl)c(N2CCC(CO)C2)cc1F

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.62
CYP3A4 P08684 6/20 0.58
SCN5A Q14524 7/20 0.56
SCN8A Q9UQD0 1/20 0.56

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
SCHEMBL20115568 1.00 SCN9A (0.62) SCN9ACYP3A4SCN5ASCN8A
SCHEMBL31566501 0.91 SCN9A (0.58) SCN9ACYP3A4SCN5ASCN8A
SCHEMBL21707538 0.90 SCN9A (0.56) SCN9ACYP3A4SCN5ASCN8A
SCHEMBL20115795 0.89 SCN9A (0.58) SCN9ACYP3A4SCN5ASCN8A
SCHEMBL30479336 0.89 SCN9A (0.58) SCN9ACYP3A4SCN5ASCN8A
SCHEMBL31566890 0.89 SCN9A (0.56) SCN9ACYP3A4SCN5ASCN8A
SCHEMBL31567023 0.88 SCN9A (0.58) SCN9ACYP3A4SCN5ASCN8A
SCHEMBL31566899 0.86 SCN9A (0.55) SCN9ACYP3A4SCN5ASCN8A
SCHEMBL31567015 0.86 SCN9A (0.57) SCN9ACYP3A4SCN5ASCN8A
SCHEMBL31566467 0.84 SCN8A (0.59) SCN9ASCN8A

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
CN-110088093-B Acyl sulfonamide nav1.7 inhibitors 百时美施贵宝公司 2023-06-13 CN claimed