SCHEMBL17797342

SCHEMBL17797342

COc1ccc(CN(c2ncns2)S(=O)(=O)c2cc(F)c(OCC3CN(C(=O)OC(C)(C)C)CC3c3ccc(Cl)cc3)cc2F)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 18/20 0.58
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
SCN5A Q14524 3/20 0.43
PDE4B Q07343 2/20 0.37

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
SCHEMBL17797343 1.00 SCN9A (0.58) SCN9ACYP3A4CYP2D6CYP2C9SCN5A
SCHEMBL16143215 1.00 SCN9A (0.58) SCN9ACYP3A4CYP2D6CYP2C9SCN5A
SCHEMBL16141315 1.00 SCN9A (0.58) SCN9ACYP3A4CYP2D6CYP2C9SCN5A
SCHEMBL14934655 0.95 SCN9A (0.66) SCN9ACYP3A4CYP2D6CYP2C9SCN5A
SCHEMBL16141316 0.95 SCN9A (0.66) SCN9ACYP3A4CYP2D6CYP2C9SCN5A
SCHEMBL16141298 0.95 SCN9A (0.66) SCN9ACYP3A4CYP2D6CYP2C9SCN5A
SCHEMBL16107835 0.95 SCN9A (0.66) SCN9ACYP3A4CYP2D6CYP2C9SCN5A
SCHEMBL14934647 0.95 SCN9A (0.66) SCN9ACYP3A4CYP2D6CYP2C9SCN5A
SCHEMBL14934452 0.95 SCN9A (0.66) SCN9ACYP3A4CYP2D6CYP2C9SCN5A
SCHEMBL14921620 0.93 SCN9A (0.49) SCN9ACYP3A4CYP2D6CYP2C9SCN5A

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
EP-2773637-B1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2016-06-08 EP disclosed