SCHEMBL22909474

SCHEMBL22909474

CN(C)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1Nc1ccc(C#N)cn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.40
IDH1 O75874 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
CCR6 P51684 8/20 0.36
TRPV4 Q9HBA0 1/20 0.35
TYK2 P29597 1/20 0.34
JAK2 O60674 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34

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
SCHEMBL22909484 0.81 CA1 (0.40) SIRT2MEN1KMT2AKDM4E
SCHEMBL22909163 0.77 TSHR (0.49) MEN1KMT2AKDM4EMAPT
SCHEMBL29671325 0.77 TSHR (0.49) MEN1KMT2AKDM4EMAPT
SCHEMBL29671275 0.74 CA2 (0.48) KDM4E
SCHEMBL568681 0.73 TSHR (0.53) SIRT2IDH1MEN1KMT2ACCR6
SCHEMBL22909462 0.68 L3MBTL1 (0.46) MEN1KMT2ATYK2
SCHEMBL29729069 0.68 L3MBTL1 (0.46) MEN1KMT2ATYK2
SCHEMBL22909113 0.68 TSHR (0.42) MEN1KMT2AKDM4EMAPT
SCHEMBL12017952 0.67 SLC22A12 (0.48) MEN1KMT2AKDM4ECCR6SLC22A12
SCHEMBL22909451 0.67 TSHR (0.48)

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-2021009568-A1 BENZENESULFONAMIDE DERIVATIVES AND USES THEREOF 2692372 ONTARIO, INC. (CA) 2021-01-21 WO disclosed