SCHEMBL9702524

SCHEMBL9702524

O=C(NCCCc1nnn[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 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.42
CA2 P00918 8/20 0.42
STS P08842 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.36
HTT P42858 1/20 0.36
BRD4 O60885 1/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL9703869 0.96 CA2 (0.41) CA1CA2STSL3MBTL1HTT
SCHEMBL9702511 0.95 CA2 (0.40) CA1CA2STSL3MBTL1HTT
SCHEMBL9703700 0.95 CA2 (0.39) CA1CA2STSL3MBTL1HTT
SCHEMBL9702006 0.94 CA2 (0.39) CA1CA2STSL3MBTL1HTT
SCHEMBL9702987 0.92 CA1 (0.46) CA1CA2STSL3MBTL1HTT
SCHEMBL9702687 0.90 MEN1 (0.38) CA1CA2STSL3MBTL1HTT
SCHEMBL9702689 0.84 L3MBTL1 (0.49) CA1CA2STSL3MBTL1HTT
SCHEMBL10647824 0.79 CA1 (0.46) CA1CA2STS
SCHEMBL9704824 0.78 CA1 (0.37) CA1CA2STSL3MBTL1HTT
SCHEMBL9702024 0.78 CA1 (0.37) CA1CA2STSL3MBTL1HTT

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