SCHEMBL31661999

SCHEMBL31661999

Cn1ncc2cc(C(N)=O)c(Oc3ccc(OCCOC4CCS(=O)(=O)CC4)cc3)cc21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.36
SYK P43405 3/20 0.34
ROCK2 O75116 1/20 0.34
HTR3A P46098 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
DRD4 P21917 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
RET P07949 2/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
HAO1 Q9UJM8 2/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
CD38 P28907 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
SCHEMBL31662113 0.93 SCN9A (0.39) SCN9ASYKROCK2HTR3ADRD4
SCHEMBL31661960 0.91 SCN1A (0.37) SCN9ASYKROCK2DRD4TMEM97
SCHEMBL31662165 0.89 IRAK4 (0.37) SCN9ASYKROCK2RETJAK2
SCHEMBL31661875 0.89 SCN9A (0.40) SCN9ASYKROCK2HAO1IRAK4
SCHEMBL31661986 0.87 CHEK2 (0.40) SCN9ADRD4TMEM97SIGMAR1JAK2
SCHEMBL31662354 0.86 SCN9A (0.38) SCN9ASYKROCK2JAK2JAK1
SCHEMBL31662101 0.86 MAPT (0.38) SCN9ADRD4TMEM97SIGMAR1
SCHEMBL31662071 0.86 SCN9A (0.38) SCN9ASYKROCK2JAK2JAK1
SCHEMBL31662133 0.86 OPRK1 (0.38) SCN9ASYKROCK2HTR3A
SCHEMBL31662124 0.85 SCN9A (0.36) SCN9ASYKROCK2HTR3ARET

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-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO claimed
WO-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO disclosed