SCHEMBL8294647

SCHEMBL8294647

CSc1cc(C(F)(F)F)ccc1/C=[N+](\[O-])C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 3/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
CCNE2 O96020 1/20 0.31
CCNA2 P20248 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
FBP1 P09467 2/20 0.31
KIF11 P52732 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
SCHEMBL5552843 1.00 LMNA (0.34) LMNAMAPTALDH1A1GAAHPGD
SCHEMBL14390458 0.82 ALDH1A1 (0.33) ALDH1A1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL2800845 0.80 FBP1 (0.33) FBP1
SCHEMBL7923555 0.80 GAA (0.38) ALDH1A1GAAMEN1KMT2ACCNE2
SCHEMBL8294137 0.80 FBP1 (0.33) FBP1
SCHEMBL13233065 0.75 GAA (0.39) LMNAMAPTALDH1A1GAAKMT2A
SCHEMBL2798301 0.75 GAA (0.39) LMNAMAPTALDH1A1GAAKMT2A
SCHEMBL2798775 0.74 ALOX5 (0.39) MAPTALDH1A1MEN1KMT2ABACE1
SCHEMBL2799552 0.74 POLB (0.37) LMNAMAPTALDH1A1ADRA2AADRA2B
SCHEMBL8100291 0.71 KDM4E (0.36) ALDH1A1MEN1KMT2AADRA2AADRA2B

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-2005016272-A2 ARYL, HETEROAROMATIC AND BICYCLIC ARYL NITRONE COMPOUNDS, PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS RENOVIS, INC. (US) 2005-02-24 WO disclosed