SCHEMBL2222958

SCHEMBL2222958

CC/C(=C\C(=O)O)c1c(F)cccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 8/20 0.43
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 1/20 0.42
MAPT P10636 2/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL18215565 0.82 MEN1 (0.44) MEN1KMT2AGAAITGB2ICAM1
SCHEMBL17055976 0.80 MEN1 (0.42) MEN1KMT2AGAAITGB2ICAM1
SCHEMBL18371899 0.78 GAA (0.42) MEN1KMT2AGAAITGB2ICAM1
SCHEMBL6462215 0.77 MEN1 (0.56) MEN1KMT2AGAAITGB2ICAM1
SCHEMBL2575629 0.75 CES2 (0.50) GAAITGB2ICAM1ITGALHPGD
SCHEMBL2575630 0.75 CES2 (0.50) GAAITGB2ICAM1ITGALHPGD
SCHEMBL21466547 0.75 GAA (0.39) MEN1KMT2AGAAITGB2ICAM1
Methyl Alcohol SCHEMBL28365833 0.73 GAA (0.53) MEN1KMT2AGAAITGB2ICAM1
SCHEMBL695459 0.73 GAA (0.56) MEN1KMT2AGAAITGB2ICAM1
SCHEMBL29570977 0.73 GAA (0.56) MEN1KMT2AGAAITGB2ICAM1

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-2011088201-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2011-07-21 WO disclosed