SCHEMBL30184802

SCHEMBL30184802

O=C1C(Br)=Cc2cccc3cccc1c23

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 1.00
KMT2A Q03164 4/20 1.00
MAPT P10636 2/20 1.00
MAPK1 P28482 2/20 1.00
ALDH1A1 P00352 4/20 0.56
CES1 P23141 2/20 0.56
CES2 O00748 1/20 0.56
BCHE P06276 1/20 0.56
MCL1 Q07820 1/20 0.56
S100A4 P26447 1/20 0.49
PABPC1 P11940 3/20 0.48
DNMT1 P26358 2/20 0.48
CYP3A4 P08684 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
TYMS P04818 4/20 0.42
PARP1 P09874 1/20 0.41
P4HB P07237 1/20 0.41
RXFP1 Q9HBX9 3/20 0.40
HSD17B10 Q99714 2/20 0.40

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
SCHEMBL16225115 1.00 MEN1 (1.00) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL4073489 0.85 MAPK1 (0.74) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL30640973 0.85 MAPK1 (0.74) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL5087254 0.79 MAPT (0.64) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL22361237 0.78 MEN1 (0.64) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL2842601 0.76 KMT2A (0.61) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL19415819 0.76 MAPT (0.61) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL30165987 0.76 KMT2A (0.61) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL5430435 0.76 MEN1 (0.61) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL31121099 0.76 MEN1 (0.61) MEN1KMT2AMAPTMAPK1ALDH1A1

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
CN-108135964-B Glutathione formulations and methods of use 分子防御公司 2023-02-17 CN disclosed