SCHEMBL28416267

SCHEMBL28416267

O=C(NS(=O)(=O)C1CC1)c1cc(Cl)c(OCC2CCCN2c2ccc(C(F)(F)F)cc2)cc1F

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 20/20 0.58
▸ SCN5A Q14524 3/20 0.51
▸ SCN4A P35499 1/20 0.48

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
SCHEMBL20668562 1.00 SCN9A (0.58) SCN9ASCN5ASCN4A
SCHEMBL18013219 0.91 SCN9A (0.61) SCN9ASCN5ASCN4A
SCHEMBL28388958 0.90 SCN9A (0.56) SCN9A
SCHEMBL28388959 0.90 SCN9A (0.56) SCN9A
SCHEMBL20578206 0.90 SCN9A (0.55) SCN9ASCN5ASCN4A
SCHEMBL20578205 0.90 SCN9A (0.55) SCN9ASCN5ASCN4A
SCHEMBL20668561 0.90 SCN9A (0.62) SCN9ASCN5A
SCHEMBL20578064 0.89 SCN9A (0.55) SCN9ASCN5ASCN4A
SCHEMBL20578062 0.89 SCN9A (0.55) SCN9ASCN5ASCN4A
SCHEMBL18013122 0.89 SCN9A (0.49) SCN9A

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-108430969-B Heterocyclic substituted N-sulfonyl benzamide derivative, preparation method and medical application thereof 上海海雁医药科技有限公司 2020-06-02 — — CN disclosed
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