SCHEMBL24725971

SCHEMBL24725971

CCS(=O)(=O)c1c(C(=O)Nc2ccc(C(F)(F)F)cn2)ncc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
PTGS1 P23219 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
FGFR4 P22455 2/20 0.44
MAPKAPK2 P49137 1/20 0.44
SCN9A Q15858 4/20 0.42
DYRK1A Q13627 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
DEGS1 O15121 1/20 0.41
PTGES O14684 1/20 0.41
POLB P06746 1/20 0.41
PPARD Q03181 1/20 0.41

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
SCHEMBL24725979 0.82 GAA (0.46) GAAPTGS1RAB9ANPC1FGFR4
SCHEMBL24725980 0.79 PPARD (0.47) GAAPTGS1RAB9ANPC1FGFR4
SCHEMBL16762185 0.78 PTGS1 (0.51) GAAPTGS1RAB9ANPC1FGFR4
SCHEMBL16872874 0.77 TRPV1 (0.52) GAAPTGS1RAB9ANPC1FGFR4
SCHEMBL16891372 0.74 PTGS1 (0.46) GAAPTGS1RAB9ANPC1FGFR4
SCHEMBL17891982 0.73 MAPT (0.38) RAB9ANPC1
SCHEMBL28849047 0.72 MAPT (0.38) RAB9ANPC1
SCHEMBL16885474 0.72 MEN1 (0.48) GAAPTGS1RAB9ANPC1SCN9A
SCHEMBL24725972 0.71 FGFR4 (0.46) GAAPTGS1RAB9ANPC1FGFR4
SCHEMBL17894101 0.71 PTGS1 (0.74) GAAPTGS1RAB9ANPC1TRPV1

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-2022259985-A1 PEST CONTROLLING AGENT 日本化薬株式会社 2022-12-15 WO disclosed