SCHEMBL28850189

SCHEMBL28850189

O=C(Nc1cc[nH]c(=O)c1)c1ccccc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.60
KCNK9 Q9NPC2 2/20 0.60
PTGS1 P23219 1/20 0.60
PTPRC P08575 1/20 0.60
SCN8A Q9UQD0 13/20 0.58
SCN10A Q9Y5Y9 13/20 0.58
RXFP1 Q9HBX9 1/20 0.58
JAK2 O60674 1/20 0.56
JAK1 P23458 1/20 0.56
TYK2 P29597 1/20 0.56
F2R P25116 1/20 0.54

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
SCHEMBL17045005 0.82 SCN8A (0.65) PTPRCSCN8ASCN10AJAK2JAK1
SCHEMBL23027376 0.79 JAK2 (0.56) SCN8ASCN10AJAK2JAK1TYK2
SCHEMBL5332281 0.78 KCNK3 (0.75) KCNK3KCNK9PTGS1PTPRCRXFP1
SCHEMBL15901652 0.76 SCN10A (0.69) SCN8ASCN10A
SCHEMBL15901646 0.76 SCN10A (0.72) SCN8ASCN10A
SCHEMBL28822369 0.76 ESR1 (0.65) SCN8ASCN10A
Bromide SCHEMBL16777889 0.75 SCN10A (0.68) SCN8ASCN10A
SCHEMBL28064012 0.75 SCN8A (0.67) SCN8ASCN10A
SCHEMBL15901904 0.75 NPC1 (0.61) KCNK3KCNK9SCN8ASCN10AJAK2
SCHEMBL12764065 0.75 KCNK3 (0.83) KCNK3KCNK9PTGS1PTPRCRXFP1

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
CN-114945566-A Substituted tetrahydrofurans as sodium channel modulators 沃泰克斯药物股份有限公司 2022-08-26 CN disclosed