SCHEMBL23399337

SCHEMBL23399337

Cc1ccc(-c2c(-c3ccccc3C)[nH]n(-c3cccc(C)c3)c2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.53
NOD2 Q9HC29 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
TNF P01375 1/20 0.53
NOD1 Q9Y239 1/20 0.53
GAA P10253 8/20 0.46
MEN1 O00255 8/20 0.46
KMT2A Q03164 8/20 0.46
HTT P42858 4/20 0.46
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
ALOX15 P16050 1/20 0.44
ALKBH3 Q96Q83 1/20 0.42
ALKBH5 Q6P6C2 1/20 0.40
CASP6 P55212 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 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
SCHEMBL23400771 0.94 MAPT (0.54) MAPTNOD2TDP1TNFNOD1
SCHEMBL23399443 0.90 GAA (0.55) MAPTNOD2TDP1TNFNOD1
SCHEMBL23399944 0.89 MAPT (0.52) MAPTNOD2TDP1TNFNOD1
SCHEMBL23399053 0.87 MAPT (0.52) MAPTNOD2TDP1TNFNOD1
SCHEMBL23401513 0.86 ALKBH3 (0.56) MAPTNOD2TDP1TNFNOD1
SCHEMBL23401672 0.86 ALKBH3 (0.56) MAPTNOD2TDP1TNFNOD1
SCHEMBL23401079 0.85 MAPT (0.50) MAPTNOD2TDP1TNFNOD1
SCHEMBL23398725 0.85 GAA (0.55) MAPTGAAMEN1KMT2AHTT
SCHEMBL23403185 0.83 MAPT (0.55) MAPTNOD2TDP1TNFNOD1
SCHEMBL23402185 0.83 GAA (0.63) MAPTGAAMEN1KMT2AHTT

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