SCHEMBL23399458

SCHEMBL23399458

Cc1ccccc1-n1[nH]c(-c2ccccc2)c(CC(C)C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 2/20 0.43
CYBB P04839 1/20 0.43
NOX1 Q9Y5S8 1/20 0.43
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 3/20 0.35
ALOX15 P16050 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
BCL2 P10415 1/20 0.34
MCL1 Q07820 1/20 0.34
ALKBH3 Q96Q83 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MGLL Q99685 1/20 0.33

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
SCHEMBL23398782 0.92 NOX4 (0.39) NOX4CYBBNOX1MEN1KMT2A
SCHEMBL23402583 0.89 MAPT (0.35) NOX4CYBBNOX1MEN1KMT2A
SCHEMBL23401640 0.87 MAPT (0.39) NOX4MEN1KMT2AGAAALDH1A1
SCHEMBL23400068 0.85 NOX4 (0.48) NOX4CYBBNOX1MEN1KMT2A
SCHEMBL23400793 0.83 GAA (0.43) NOX4GAAALDH1A1MAPTALKBH3
SCHEMBL23398706 0.83 MEN1 (0.54) NOX4CYBBNOX1MEN1KMT2A
SCHEMBL23403193 0.83 NOX4 (0.62) NOX4CYBBNOX1MEN1KMT2A
SCHEMBL23402776 0.82 NOX4 (0.37) NOX4MEN1KMT2AGAAALDH1A1
SCHEMBL23402661 0.82 NOX4 (0.54) NOX4CYBBNOX1MEN1KMT2A
SCHEMBL23398592 0.82 MT-CO1 (0.38) NOX4MEN1KMT2AGAAALDH1A1

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