SCHEMBL28534813

SCHEMBL28534813

COc1ccc(CN(c2ncns2)S(=O)(=O)c2c(F)cc(N(C)C3CCN(C(=O)O)C3)c(C)c2F)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 18/20 0.46
SCN1A P35498 13/20 0.46
RORC P51449 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL19613387 0.92 SCN8A (0.43) SCN8ASCN1ARORC
SCHEMBL19613386 0.92 SCN8A (0.43) SCN8ASCN1ARORC
SCHEMBL19614031 0.88 SCN8A (0.63) SCN8ASCN1A
SCHEMBL19614029 0.88 SCN8A (0.63) SCN8ASCN1A
SCHEMBL19627739 0.86 SCN8A (0.42) SCN8ASCN1A
SCHEMBL19631571 0.85 SCN8A (0.41) SCN8ASCN1ARORC
SCHEMBL19614254 0.85 SCN8A (0.46) SCN8ASCN1ARORCTSHR
SCHEMBL19614252 0.85 SCN8A (0.46) SCN8ASCN1ARORCTSHR
Hydrochloric Acid SCHEMBL19614165 0.85 SCN8A (0.41) SCN8ASCN1ARORC
Hydrochloric Acid SCHEMBL19614166 0.85 SCN8A (0.41) SCN8ASCN1ARORC

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-109526219-B Benzenesulfonamides and their use as therapeutic agents 泽农医药公司 2021-03-12 CN disclosed