SCHEMBL23399282

SCHEMBL23399282

CCCc1c(-c2ccccc2)[nH]n(-c2ccc(C)cc2)c1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYBB P04839 1/20 0.62
NOX4 Q9NPH5 1/20 0.62
NOX1 Q9Y5S8 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 8/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALOX15 P16050 1/20 0.44
KDM4E B2RXH2 5/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KAT8 Q9H7Z6 1/20 0.41
MAPT P10636 4/20 0.40
USP2 O75604 1/20 0.39
POLB P06746 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
SCHEMBL23402849 0.95 CYBB (0.62) CYBBNOX4NOX1SMN1; SMN2GAA
SCHEMBL23400404 0.93 CYBB (0.54) CYBBNOX4NOX1SMN1; SMN2GAA
SCHEMBL23400974 0.93 CYBB (0.55) CYBBNOX4NOX1SMN1; SMN2GAA
SCHEMBL23401605 0.92 CYBB (0.67) CYBBNOX4NOX1GAAMEN1
SCHEMBL23401737 0.89 MEN1 (0.49) CYBBNOX4NOX1SMN1; SMN2GAA
SCHEMBL23399133 0.88 CYBB (0.49) CYBBNOX4NOX1SMN1; SMN2GAA
SCHEMBL23402259 0.88 CYBB (0.54) CYBBNOX4NOX1SMN1; SMN2GAA
SCHEMBL23399195 0.86 CYBB (0.57) CYBBNOX4NOX1GAAMEN1
SCHEMBL23403706 0.86 SMN1; SMN2 (0.49) CYBBNOX4NOX1SMN1; SMN2GAA
SCHEMBL23398674 0.86 CYBB (0.58) CYBBNOX4NOX1SMN1; SMN2GAA

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