SCHEMBL23398706

SCHEMBL23398706

CC(C)Cc1c(-c2ccccc2)[nH]n(-c2ccccc2)c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
GAA P10253 9/20 0.48
ALOX15 P16050 1/20 0.48
CYBB P04839 1/20 0.46
NOX4 Q9NPH5 1/20 0.46
NOX1 Q9Y5S8 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.42
TSHR P16473 1/20 0.41
MPI P34949 1/20 0.41
MAPT P10636 7/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.40
CHEK1 O14757 1/20 0.39
IKBKB O14920 1/20 0.39
DCLK1 O15075 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 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
SCHEMBL23402600 0.92 MEN1 (0.46) MEN1KMT2AGAAALOX15CYBB
SCHEMBL23401207 0.92 GAA (0.46) MEN1KMT2AGAAALOX15CYBB
SCHEMBL23399600 0.88 MAPT (0.45) MEN1KMT2AGAAALOX15CYBB
SCHEMBL23398436 0.88 GAA (0.44) MEN1KMT2AGAAALOX15CYBB
SCHEMBL23400471 0.84 SMN1; SMN2 (0.46) MEN1KMT2AGAAALOX15CYBB
SCHEMBL23402078 0.83 MAPT (0.46) MEN1KMT2AGAAALOX15L3MBTL1
SCHEMBL23399458 0.83 NOX4 (0.43) MEN1KMT2AGAAALOX15CYBB
SCHEMBL23400300 0.83 MEN1 (0.58) MEN1KMT2AGAAALOX15CYBB
SCHEMBL23402533 0.82 GAA (0.64) MEN1KMT2AGAAALOX15L3MBTL1
SCHEMBL23403012 0.82 ALDH1A1 (0.49) MEN1KMT2AGAACYBBNOX4

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed