SCHEMBL30723294

SCHEMBL30723294

OCCOCCOCCOC(Br)CO

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL23152367 0.84 MEN1 (0.50) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL27183461 0.84 MEN1 (0.50) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL23466898 0.84 MEN1 (0.50) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL15412426 0.80 MEN1 (0.46) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL15902602 0.80 MEN1 (0.46) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL17599930 0.76 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL8056847 0.73 MEN1 (0.55) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL2828534 0.73 MEN1 (0.55) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL4092706 0.72 MEN1 (1.00) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL19305255 0.72 MEN1 (1.00) MEN1KMT2ATSHRMAPK1THRB

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-115028552-B Azidation reagent and preparation method and application thereof 南京工业大学 2024-01-12 CN disclosed