SCHEMBL24725979

SCHEMBL24725979

CCSc1c(C(=O)Nc2ccc(C(F)(F)F)cn2)ncc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
RAB9A P51151 3/20 0.46
PTGS1 P23219 2/20 0.46
NPC1 O15118 2/20 0.46
FGFR4 P22455 2/20 0.44
MAPKAPK2 P49137 1/20 0.44
SCN9A Q15858 4/20 0.43
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
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40

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
SCHEMBL24725971 0.82 GAA (0.46) GAARAB9APTGS1NPC1FGFR4
SCHEMBL24725972 0.79 FGFR4 (0.46) GAARAB9APTGS1NPC1FGFR4
SCHEMBL16762081 0.78 PTGS1 (0.51) GAARAB9APTGS1NPC1FGFR4
SCHEMBL16872872 0.77 TRPV1 (0.52) GAARAB9APTGS1NPC1FGFR4
SCHEMBL16667115 0.76 MAPK1 (0.55) GAARAB9APTGS1NPC1FGFR4
SCHEMBL17891984 0.73 KMT2A (0.40) GAARAB9ANPC1
SCHEMBL28167999 0.72 KMT2A (0.39) GAARAB9ANPC1POLB
SCHEMBL16666383 0.72 GAA (0.57) GAARAB9APTGS1NPC1FGFR4
SCHEMBL16885512 0.72 MEN1 (0.48) GAARAB9APTGS1NPC1SCN9A
SCHEMBL24725980 0.71 PPARD (0.47) GAARAB9APTGS1NPC1FGFR4

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