SCHEMBL18013128

SCHEMBL18013128

CC(C)(C)OC(=O)N(c1cscn1)S(=O)(=O)c1cc(Cl)c(Oc2ccc(Cl)cc2-c2cn[nH]c2N)cc1F

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.64
CYP2C9 P11712 3/20 0.64
SCN5A Q14524 3/20 0.64
SCN2B O60939 1/20 0.64
SCN1A P35498 1/20 0.64
SCN4A P35499 1/20 0.64
SCN7A Q01118 1/20 0.64
SCN1B Q07699 1/20 0.64
SLC22A12 Q96S37 1/20 0.64
SCN2A Q99250 1/20 0.64
SCN3A Q9NY46 1/20 0.64
SCN8A Q9UQD0 1/20 0.64

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
SCHEMBL16120766 0.81 SCN9A (0.45) SCN9ACYP2C9SCN5ASCN2BSCN1A
SCHEMBL14880152 0.81 SCN9A (0.61) SCN9ACYP2C9SCN5ASCN2BSCN1A
SCHEMBL28074465 0.80 SCN9A (0.41) SCN9ACYP2C9SCN5ASCN2BSCN1A
SCHEMBL319776 0.80 SCN9A (0.56) SCN9A
SCHEMBL14889981 0.79 SCN9A (0.56) SCN9ACYP2C9SCN5ASCN2BSCN1A
Pf-05089771 SCHEMBL31060533 0.78 SCN9A (1.00) SCN9ACYP2C9SCN5ASCN2BSCN1A
Pf-05089771 SCHEMBL1095065 0.78 SCN9A (1.00) SCN9ACYP2C9SCN5ASCN2BSCN1A
Pf-05089771 SCHEMBL29376793 0.78 SCN9A (1.00) SCN9ACYP2C9SCN5ASCN2BSCN1A
SCHEMBL29447370 0.77 SCN8A (0.44) SCN9ASCN5ASCN1ASCN1BSCN8A
SCHEMBL19627717 0.77 SCN8A (0.44) SCN9ASCN5ASCN1ASCN1BSCN8A

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
WO-2016124139-A1 HETEROCYCLIC-SUBSTITUTED N-SULFONYLBENZAMIDE DERIVATIVES, PREPARATION METHOD FOR DERIVATIVES, AND PHARMACEUTICAL USE OF DERIVATIVES 上海海雁医药科技有限公司 2016-08-11 WO disclosed