SCHEMBL29736477

SCHEMBL29736477

COc1ccc(CN(c2ncns2)S(=O)(=O)c2cc(Cl)c(Oc3ccc(Cl)cc3N3CCCC3)cc2F)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 19/20 0.39
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL28556096 1.00 SCN9A (0.39) SCN9AALDH1A1LMNAMAPTTSHR
SCHEMBL28552935 0.87 SCN8A (0.36) SCN9AALDH1A1TSHR
SCHEMBL29736394 0.87 SCN8A (0.36) SCN9AALDH1A1TSHR
SCHEMBL28561090 0.85 ALDH1A1 (0.44) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL1094589 0.83 SCN9A (0.49) SCN9AMAPT
SCHEMBL1093593 0.82 SCN9A (0.40) SCN9AALDH1A1MAPTTSHR
SCHEMBL29736437 0.82 SCN9A (0.40) SCN9AALDH1A1MAPTTSHR
SCHEMBL1094007 0.81 SCN9A (0.48) SCN9A
SCHEMBL18882727 0.80 RORC (0.37) SCN9AALDH1A1LMNATSHR
SCHEMBL28912753 0.80 SCN9A (0.39) SCN9AALDH1A1LMNAMAPTTSHR

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-112759559-B Sulfonamide compounds as sodium channel blockers and uses thereof 成都康弘药业集团股份有限公司 2022-08-12 CN disclosed