SCHEMBL23401102

SCHEMBL23401102

O=c1c(-c2ccccc2)c(-c2ccccc2)[nH]n1-c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.67
ALOX15 P16050 1/20 0.67
MEN1 O00255 6/20 0.65
KMT2A Q03164 6/20 0.65
MAPT P10636 8/20 0.54
LMNA P02545 2/20 0.54
HTT P42858 2/20 0.51
TSHR P16473 1/20 0.50
MPI P34949 1/20 0.50
ALKBH3 Q96Q83 2/20 0.49
TDP1 Q9NUW8 2/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GFER P55789 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL23401133 0.91 GAA (0.65) GAAALOX15MEN1KMT2AMAPT
SCHEMBL23401531 0.91 GAA (0.65) GAAALOX15MEN1KMT2AMAPT
SCHEMBL23401851 0.89 GAA (0.62) GAAALOX15MEN1KMT2AMAPT
SCHEMBL23402880 0.89 GAA (0.62) GAAALOX15MEN1KMT2AMAPT
SCHEMBL23402367 0.87 GAA (0.60) GAAALOX15MEN1KMT2AMAPT
SCHEMBL23402162 0.87 GAA (0.60) GAAALOX15MEN1KMT2AMAPT
SCHEMBL23398844 0.85 GAA (0.61) GAAALOX15MEN1KMT2AMAPT
SCHEMBL23401273 0.85 GAA (0.59) GAAALOX15MEN1KMT2AMAPT
SCHEMBL23401739 0.80 MEN1 (0.63) GAAALOX15MEN1KMT2AMAPT
SCHEMBL23399618 0.80 GAA (1.00) GAAALOX15MEN1KMT2AMAPT

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