SCHEMBL9704790

SCHEMBL9704790

O=C(NCC=CCc1nnn[nH]1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.37
CA2 P00918 8/20 0.37
STS P08842 1/20 0.34
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPT P10636 1/20 0.31
GAA P10253 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL9704782 1.00 CA1 (0.37) CA1CA2STSTDP1L3MBTL1
SCHEMBL9702987 0.80 CA1 (0.46) CA1CA2STSTDP1L3MBTL1
SCHEMBL9702524 0.78 CA1 (0.42) CA1CA2STSTDP1L3MBTL1
SCHEMBL9703869 0.77 CA2 (0.41) CA1CA2STSTDP1L3MBTL1
SCHEMBL9702511 0.76 CA2 (0.40) CA1CA2STSL3MBTL1ALDH1A1
SCHEMBL9703700 0.75 CA2 (0.39) CA1CA2STSL3MBTL1ALDH1A1
SCHEMBL10653927 0.75 CA1 (0.49) CA1CA2
SCHEMBL10646925 0.75 CA1 (0.49) CA1CA2
SCHEMBL10647189 0.75 CA1 (0.49) CA1CA2
SCHEMBL9702006 0.74 CA2 (0.39) CA1CA2STSL3MBTL1ALDH1A1

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