SCHEMBL10649798

SCHEMBL10649798

N#CCc1ccccc1NC(=O)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.48
CFTR P13569 1/20 0.47
GAA P10253 5/20 0.46
HTT P42858 3/20 0.44
MAPT P10636 3/20 0.44
TP53 P04637 2/20 0.44
JAK2 O60674 1/20 0.44
KLK7 P49862 1/20 0.44
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 2/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
PARP14 Q460N5 1/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL10646923 0.85 CA1 (0.47) ARCFTRGAAHTTPDK1
SCHEMBL10652081 0.83 CA1 (0.54) CFTRPDK1PDK2PDK3PDK4
SCHEMBL8513330 0.79 ALDH1A1 (0.50) CFTRHTTLMNAMAPK1ALDH1A1
SCHEMBL6969 0.79 AR (0.51) ARHTTMAPTTP53JAK2
SCHEMBL8134750 0.79 AR (0.51) ARHTTMAPTTP53JAK2
SCHEMBL7934022 0.76 CFTR (0.51) CFTRGAAHTTMAPTMEN1
SCHEMBL4344024 0.76 PDK1 (0.70) GAAHTTMAPTTP53JAK2
SCHEMBL9991690 0.75 TRPV1 (0.54) ARHTTMAPTTP53JAK2
SCHEMBL1405006 0.74 ALDH1A1 (0.51) ARGAAHTTMAPTTP53
SCHEMBL12849679 0.74 TRPV1 (0.50) ARHTTMAPTTP53JAK2

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
US-4764623-A N-(1H-tetrazol-5-yl-alkylphenyl)polyfluoroalkanamides AMERICAN HOME PRODUCTS CORPORATION (US) 1988-08-16 US disclosed