SCHEMBL23399735

SCHEMBL23399735

CCc1c(-c2cccc(C)c2)[nH]n(-c2ccccc2C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 2/20 0.39
CYBB P04839 1/20 0.39
NOX1 Q9Y5S8 1/20 0.39
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
MAPK14 Q16539 3/20 0.35
KMT2A Q03164 3/20 0.34
ALKBH3 Q96Q83 2/20 0.34
THRB P10828 1/20 0.34
ELANE P08246 1/20 0.34
MEN1 O00255 2/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34

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
SCHEMBL23398889 0.90 NOX4 (0.50) NOX4CYBBNOX1MAPTNPC1
SCHEMBL23403606 0.89 NOX4 (0.44) NOX4CYBBNOX1MAPTALDH1A1
SCHEMBL23400068 0.88 NOX4 (0.48) NOX4CYBBNOX1MAPTALDH1A1
SCHEMBL23402583 0.87 MAPT (0.35) NOX4CYBBNOX1MAPTALDH1A1
SCHEMBL23400265 0.86 NOX4 (0.43) NOX4CYBBNOX1MAPTALDH1A1
SCHEMBL23399823 0.85 GAA (0.47) NOX4CYBBNOX1MAPTALDH1A1
SCHEMBL23403287 0.84 ALKBH3 (0.47) NOX4CYBBNOX1MAPTALDH1A1
SCHEMBL23400868 0.83 ALKBH5 (0.43) NOX4CYBBNOX1MAPTALDH1A1
SCHEMBL23400041 0.82 SMN1; SMN2 (0.43) NOX4CYBBNOX1MAPTALDH1A1
SCHEMBL23399948 0.82 ALKBH3 (0.50) MAPTGAANPC1RAB9ALMNA

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