SCHEMBL15054825

SCHEMBL15054825

CCCOc1ncccc1-c1cc(C(=O)NS(C)(=O)=O)ccc1Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 14/20 0.81
▸ MRGPRX4 Q96LA9 1/20 0.45
▸ SCN5A Q14524 3/20 0.44
▸ KDR P35968 2/20 0.41
▸ TEK Q02763 2/20 0.41
▸ SCN8A Q9UQD0 1/20 0.41
▸ SCN10A Q9Y5Y9 1/20 0.41
▸ CYP1A1 P04798 1/20 0.40
▸ CYP1B1 Q16678 1/20 0.40

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
SCHEMBL15055743 0.93 SCN9A (0.79) SCN9AMRGPRX4SCN5AKDRTEK
SCHEMBL15055599 0.90 SCN9A (1.00) SCN9ASCN5A
SCHEMBL16242041 0.89 SCN9A (0.66) SCN9AMRGPRX4SCN5AKDRTEK
SCHEMBL15055456 0.89 SCN9A (0.78) SCN9AMRGPRX4SCN5A
SCHEMBL15055489 0.87 SCN9A (0.62) SCN9ASCN5A
SCHEMBL15055297 0.87 SCN9A (0.77) SCN9ASCN5A
SCHEMBL15055760 0.85 SCN9A (0.75) SCN9ASCN5A
SCHEMBL10154795 0.82 SCN9A (0.86) SCN9ASCN5A
SCHEMBL16242187 0.82 SCN9A (0.63) SCN9AMRGPRX4SCN5AKDRTEK
SCHEMBL15055296 0.82 SCN9A (0.88) SCN9AMRGPRX4SCN5A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013093688-A1 SULFONAMIDE DERIVATIVES AND USE THEREOF AS VGSC INHIBITORS PFIZER LIMITED (GB) 2013-06-27 — — WO claimed
WO-2013093688-A1 SULFONAMIDE DERIVATIVES AND USE THEREOF AS VGSC INHIBITORS PFIZER LIMITED (GB) 2013-06-27 — — WO disclosed
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