SCHEMBL23398674

SCHEMBL23398674

CCCc1c(-c2ccccc2)[nH]n(-c2cccc(C)c2)c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYBB P04839 1/20 0.58
NOX4 Q9NPH5 1/20 0.58
NOX1 Q9Y5S8 1/20 0.58
GAA P10253 9/20 0.44
MAPT P10636 7/20 0.44
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
HTT P42858 2/20 0.44
ALKBH5 Q6P6C2 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
TNF P01375 1/20 0.43
NOD2 Q9HC29 1/20 0.43
NOD1 Q9Y239 1/20 0.43
MAPK1 P28482 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
ALKBH3 Q96Q83 2/20 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
SCHEMBL23402036 0.94 CYBB (0.51) CYBBNOX4NOX1GAAMAPT
SCHEMBL23398473 0.94 CYBB (0.50) CYBBNOX4NOX1GAAMAPT
SCHEMBL23402642 0.93 CYBB (0.55) CYBBNOX4NOX1GAAMAPT
SCHEMBL23402370 0.93 CYBB (0.52) CYBBNOX4NOX1GAAMAPT
SCHEMBL23398893 0.90 MAPT (0.46) CYBBNOX4NOX1GAAMAPT
SCHEMBL23401605 0.88 CYBB (0.67) CYBBNOX4NOX1GAAMAPT
SCHEMBL23402857 0.88 CYBB (0.44) CYBBNOX4NOX1GAAMAPT
SCHEMBL23398937 0.86 CYBB (0.48) CYBBNOX4NOX1GAAMAPT
SCHEMBL23400891 0.86 CYBB (0.46) CYBBNOX4NOX1GAAMAPT
SCHEMBL23402849 0.86 CYBB (0.62) CYBBNOX4NOX1GAAMAPT

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