SCHEMBL24725972

SCHEMBL24725972

CCSc1cc2ccccc2nc1C(=O)Nc1ccc(C(F)(F)F)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 2/20 0.46
GAA P10253 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PTGS1 P23219 1/20 0.45
MAPKAPK2 P49137 1/20 0.43
PTGES O14684 1/20 0.43
SCN9A Q15858 3/20 0.42
DYRK1A Q13627 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
PPARD Q03181 1/20 0.41
DEGS1 O15121 1/20 0.41
LIPE Q05469 1/20 0.41
HCRTR1 O43613 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL16762081 0.84 PTGS1 (0.51) FGFR4GAANPC1RAB9APTGS1
SCHEMBL18819790 0.83 KMT2A (0.42) GAATP53MAPTPOLB
SCHEMBL17824514 0.83 BRAF (0.40) GAATP53MAPTPOLB
SCHEMBL24725980 0.82 PPARD (0.47) FGFR4GAANPC1RAB9APTGS1
SCHEMBL16872872 0.80 TRPV1 (0.52) FGFR4GAANPC1RAB9APTGS1
SCHEMBL16667115 0.80 MAPK1 (0.55) FGFR4GAANPC1RAB9APTGS1
SCHEMBL24725979 0.79 GAA (0.46) FGFR4GAANPC1RAB9APTGS1
SCHEMBL16666383 0.78 GAA (0.57) FGFR4GAANPC1RAB9APTGS1
SCHEMBL16885512 0.77 MEN1 (0.48) GAANPC1RAB9APTGS1SCN9A
SCHEMBL24725938 0.75 TEK (0.43) GAAPTGS1DYRK1ATRPV1PPARD

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