SCHEMBL21968006

SCHEMBL21968006

Cc1ccc(S(=O)(=O)ON(c2cscn2)S(=O)(=O)c2cc(Cl)c(Oc3ccc(Cl)cc3-c3c[nH]nc3N)cc2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.47
CYP2C9 P11712 3/20 0.47
SCN5A Q14524 3/20 0.47
SCN2B O60939 1/20 0.47
SCN1A P35498 1/20 0.47
SCN4A P35499 1/20 0.47
SCN7A Q01118 1/20 0.47
SCN1B Q07699 1/20 0.47
SLC22A12 Q96S37 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN3A Q9NY46 1/20 0.47
SCN8A Q9UQD0 1/20 0.47
CYP3A4 P08684 1/20 0.42

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
SCHEMBL14880152 0.89 SCN9A (0.61) SCN9ACYP2C9SCN5ASCN2BSCN1A
Pf-05089771 SCHEMBL30543444 0.79 SCN9A (0.65) SCN9ACYP2C9SCN5ASCN2BSCN1A
Pf-05089771 SCHEMBL21968007 0.79 SCN9A (0.65) SCN9ACYP2C9SCN5ASCN2BSCN1A
Pf-05089771 SCHEMBL25819004 0.76 SCN9A (0.77) SCN9ACYP2C9SCN5ASCN2BSCN1A
SCHEMBL14889772 0.75 SCN9A (0.54) SCN9ACYP2C9SCN5ASCN1ASCN2A
SCHEMBL14889827 0.74 SCN9A (0.55) SCN9ACYP2C9SCN5ASCN1ASCN2A
SCHEMBL16531476 0.70 SCN9A (0.75) SCN9ACYP2C9SCN5ASCN2BSCN1A
SCHEMBL14889562 0.70 SCN9A (0.55) SCN9ACYP2C9SCN5ASCN2BSCN1A
SCHEMBL16531192 0.70 SCN9A (0.77) SCN9ACYP2C9SCN5ASCN2BSCN1A
SCHEMBL18013128 0.69 SCN9A (0.64) SCN9ACYP2C9SCN5ASCN2BSCN1A

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-2023155837-A1 PHARMACEUTICAL COMPOSITION HAVING ANALGESIC AND/OR ANTIPRURITIC FUNCTION AND USE THEREOF 昆山彭济凯丰生物科技有限公司 2023-08-24 WO disclosed
US-10662229-B2 Spider venom peptides and methods of use for modulating sodium channels THE UNIVERSITY OF QUEENSLAND (AU) 2020-05-26 US disclosed