SCHEMBL28548900

SCHEMBL28548900

COc1ccc(CN(c2ncns2)S(=O)(=O)c2cc(Cl)c(N)cc2F)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.39
TP53 P04637 1/20 0.36
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
GAA P10253 1/20 0.33
DHFR P00374 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL1093593 0.92 SCN9A (0.40) SCN9ATP53KDM4EPOLBHTR2A
SCHEMBL29736437 0.92 SCN9A (0.40) SCN9ATP53KDM4EPOLBHTR2A
SCHEMBL21865565 0.92 SCN9A (0.40) SCN9ATP53KDM4EPOLBGAA
SCHEMBL28912753 0.90 SCN9A (0.39) SCN9ATP53KDM4EPOLBHTR2A
SCHEMBL20528519 0.89 SCN9A (0.38) SCN9ATP53KDM4EPOLBHTR2A
SCHEMBL29835251 0.88 SCN9A (0.42) SCN9ATP53KDM4EPOLBGAA
SCHEMBL1094096 0.88 SCN9A (0.42) SCN9ATP53KDM4EPOLBGAA
SCHEMBL22035070 0.88 SCN9A (0.39) SCN9ATP53KDM4EPOLBHTR2A
SCHEMBL28570164 0.86 LMNA (0.40) SCN9AKDM4EPOLBMEN1KMT2A
SCHEMBL20449359 0.86 SCN9A (0.39) SCN9ATP53KDM4EPOLBHTR2A

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
CN-112759559-B Sulfonamide compounds as sodium channel blockers and uses thereof 成都康弘药业集团股份有限公司 2022-08-12 CN disclosed
CN-112759559-A Sulfonamide compounds as sodium channel blockers and uses thereof 成都康弘药业集团股份有限公司 2021-05-07 CN disclosed