SCHEMBL9702530

SCHEMBL9702530

CC(CNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nnn[nH]1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.36
CA2 P00918 10/20 0.36
L3MBTL1 Q9Y468 4/20 0.33
TDP1 Q9NUW8 2/20 0.33
STS P08842 1/20 0.33
MAPT P10636 1/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 1/20 0.31
RECQL P46063 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL9702024 0.85 CA1 (0.37) CA1CA2L3MBTL1TDP1STS
SCHEMBL9702987 0.74 CA1 (0.46) CA1CA2L3MBTL1TDP1STS
SCHEMBL21956077 0.73 CA1 (0.41) CA1CA2L3MBTL1TDP1STS
SCHEMBL9702524 0.72 CA1 (0.42) CA1CA2L3MBTL1TDP1STS
SCHEMBL9703869 0.71 CA2 (0.41) CA1CA2L3MBTL1TDP1STS
SCHEMBL10647818 0.71 CA1 (0.46) CA1CA2
SCHEMBL9704824 0.71 CA1 (0.37) CA1CA2L3MBTL1TDP1STS
SCHEMBL9704790 0.70 CA1 (0.37) CA1CA2L3MBTL1TDP1STS
SCHEMBL9702511 0.70 CA2 (0.40) CA1CA2L3MBTL1STSALDH1A1
SCHEMBL9704782 0.70 CA1 (0.37) CA1CA2L3MBTL1TDP1STS

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-1992011248-A1 NOVEL ALIPHATIC AMIDES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1992-07-09 WO disclosed