SCHEMBL23399443

SCHEMBL23399443

Cc1ccc(-c2c(-c3ccccc3C)[nH]n(-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
MAPT P10636 10/20 0.52
LMNA P02545 4/20 0.52
MEN1 O00255 8/20 0.49
KMT2A Q03164 8/20 0.49
TP53 P04637 1/20 0.47
HTT P42858 5/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALKBH3 Q96Q83 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NOD2 Q9HC29 2/20 0.41
MAPK1 P28482 1/20 0.41
GFER P55789 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 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
SCHEMBL23399944 0.96 MAPT (0.52) GAAALOX15MAPTLMNAMEN1
SCHEMBL23398725 0.95 GAA (0.55) GAAALOX15MAPTLMNAMEN1
SCHEMBL23402185 0.93 GAA (0.63) GAAALOX15MAPTLMNAMEN1
SCHEMBL23399337 0.90 MAPT (0.53) GAAALOX15MAPTLMNAMEN1
SCHEMBL23401851 0.87 GAA (0.62) GAAALOX15MAPTLMNAMEN1
SCHEMBL23400255 0.86 MAPT (0.44) GAAALOX15MAPTLMNAMEN1
SCHEMBL23401133 0.86 GAA (0.65) GAAALOX15MAPTLMNAMEN1
SCHEMBL23401531 0.86 GAA (0.65) GAAALOX15MAPTLMNAMEN1
SCHEMBL23400771 0.86 MAPT (0.54) GAAALOX15MAPTLMNAMEN1
SCHEMBL23402367 0.83 GAA (0.60) GAAALOX15MAPTLMNAMEN1

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