Sugi Predict

Sugi Predict / Compounds / SCHEMBL8940338

SCHEMBL8940338

SCHEMBL8940338

COCCSCCOCCOCCO

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ TSHR P16473 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ THRB P10828 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ ROCK2 O75116 1/20 0.34
▸ TDP1 Q9NUW8 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
SCHEMBL4597235 0.88 MEN1 (0.65) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL4595342 0.88 MEN1 (0.65) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL7207955 0.88 MEN1 (0.65) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL4596956 0.88 MEN1 (0.65) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL5940404 0.85 MEN1 (0.61) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL6800013 0.85 TSHR (0.62) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL3909091 0.83 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL10506890 0.83 TSHR (0.59) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL10939254 0.83 TSHR (0.59) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL27751669 0.83 CA2 (0.35) —

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
US-5504240-A HYDROBORATION AND REDUCING AGENTS ALDRICH CHEMICAL COMPANY, INC. (US) 1996-04-02 — — US disclosed