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SCHEMBL29669162

SCHEMBL29669162

CCc1cccc(CN2CCC2)c1CNc1cc(F)c(S(=O)(=O)Nc2cscn2)c(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SCN1A P35498 20/20 1.00
▸ SCN5A Q14524 20/20 1.00
▸ SCN8A Q9UQD0 20/20 1.00
▸ NR1I2 O75469 1/20 0.70
▸ CYP1A2 P05177 1/20 0.70
▸ CYP3A4 P08684 1/20 0.70
▸ CYP2D6 P10635 1/20 0.70
▸ CYP2C9 P11712 1/20 0.70
▸ CYP2C19 P33261 1/20 0.70
▸ SCN1B Q07699 1/20 0.70
▸ KCNH2 Q12809 1/20 0.70
▸ SCN9A Q15858 1/20 0.70
▸ SCN2A Q99250 1/20 0.70

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
SCHEMBL20237901 1.00 SCN1A (1.00) SCN1ASCN5ASCN8ANR1I2CYP1A2
Trifluoroacetic Acid SCHEMBL20238456 0.94 SCN1A (0.88) SCN1ASCN5ASCN8A
Trifluoroacetic Acid SCHEMBL29669193 0.94 SCN1A (0.88) SCN1ASCN5ASCN8A
SCHEMBL20237427 0.93 SCN1A (1.00) SCN1ASCN5ASCN8A
SCHEMBL29669189 0.93 SCN1A (1.00) SCN1ASCN5ASCN8A
SCHEMBL29669088 0.92 SCN1A (1.00) SCN1ASCN5ASCN8ANR1I2CYP1A2
SCHEMBL20237617 0.92 SCN1A (1.00) SCN1ASCN5ASCN8ANR1I2CYP1A2
SCHEMBL20237563 0.92 SCN1A (1.00) SCN1ASCN5ASCN8A
SCHEMBL29668898 0.92 SCN1A (1.00) SCN1ASCN5ASCN8A
SCHEMBL20237503 0.91 SCN1A (1.00) SCN1ASCN5ASCN8A

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-110325531-B Benzenesulfonamides and their use as therapeutic agents 泽农医药公司 2022-05-27 — — CN disclosed