SCHEMBL23399741

SCHEMBL23399741

CCc1c(-c2ccc(C)cc2)[nH]n(-c2ccccc2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
CYBB P04839 1/20 0.48
NOX4 Q9NPH5 1/20 0.48
NOX1 Q9Y5S8 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPT P10636 5/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
APAF1 O14727 1/20 0.43
TDP2 O95551 1/20 0.43
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL23401737 0.94 MEN1 (0.49) GAAMEN1KMT2ACYBBNOX4
SCHEMBL23399905 0.93 SMN1; SMN2 (0.49) GAAMEN1KMT2ACYBBNOX4
SCHEMBL23400300 0.91 MEN1 (0.58) GAAMEN1KMT2ACYBBNOX4
SCHEMBL23402849 0.89 CYBB (0.62) GAAMEN1KMT2ACYBBNOX4
SCHEMBL23401715 0.88 ALKBH5 (0.42) GAAMEN1KMT2ACYBBNOX4
SCHEMBL23402259 0.88 CYBB (0.54) GAAMEN1KMT2ACYBBNOX4
SCHEMBL23399823 0.85 GAA (0.47) GAAMEN1KMT2ACYBBNOX4
SCHEMBL23398893 0.85 MAPT (0.46) GAAMEN1KMT2ACYBBNOX4
SCHEMBL23401207 0.85 GAA (0.46) GAAMEN1KMT2ACYBBNOX4
SCHEMBL23399282 0.83 CYBB (0.62) GAAMEN1KMT2ACYBBNOX4

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