SCHEMBL23401708

SCHEMBL23401708

Cc1ccc(-n2[nH]c(-c3cccc(C)c3)c(-c3ccccc3)c2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.55
ALOX15 P16050 1/20 0.55
ALKBH3 Q96Q83 3/20 0.54
MAPT P10636 11/20 0.50
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
HTT P42858 4/20 0.50
LMNA P02545 3/20 0.46
MAPK1 P28482 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NOD2 Q9HC29 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GFER P55789 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41

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
SCHEMBL23399410 0.96 GAA (0.57) GAAALOX15ALKBH3MAPTMEN1
SCHEMBL23402190 0.96 ALKBH3 (0.49) GAAALOX15ALKBH3MAPTMEN1
SCHEMBL23398844 0.94 GAA (0.61) GAAALOX15ALKBH3MAPTMEN1
SCHEMBL23399450 0.90 GAA (0.58) GAAALOX15ALKBH3MAPTMEN1
SCHEMBL23402880 0.90 GAA (0.62) GAAALOX15ALKBH3MAPTMEN1
SCHEMBL23401079 0.89 MAPT (0.50) GAAALOX15ALKBH3MAPTMEN1
SCHEMBL23402162 0.89 GAA (0.60) GAAALOX15ALKBH3MAPTMEN1
SCHEMBL23402367 0.89 GAA (0.60) GAAALOX15ALKBH3MAPTMEN1
SCHEMBL23401513 0.88 ALKBH3 (0.56) GAAALOX15ALKBH3MAPTMEN1
SCHEMBL23401672 0.88 ALKBH3 (0.56) GAAALOX15ALKBH3MAPTMEN1

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