SCHEMBL31499183

SCHEMBL31499183

Cc1c(C=O)cccc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 13/20 0.48
CD274 Q9NZQ7 13/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KCNJ1 P48048 1/20 0.42
XDH P47989 1/20 0.39
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39

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
SCHEMBL4698367 1.00 PDCD1 (0.48) PDCD1CD274ALDH1A1TSHRMEN1
SCHEMBL19897782 0.85 ALDH1A1 (0.52) ALDH1A1TSHRMEN1LMNATHRB
SCHEMBL30395616 0.85 ALDH1A1 (0.52) ALDH1A1TSHRMEN1LMNATHRB
SCHEMBL27539947 0.84 ALDH1A1 (0.43) PDCD1CD274ALDH1A1TSHRMEN1
SCHEMBL6979126 0.84 KCNJ1 (0.46) PDCD1CD274ALDH1A1TSHRMEN1
SCHEMBL27681523 0.83 ALDH1A1 (0.53) PDCD1CD274ALDH1A1TSHRMEN1
SCHEMBL18367731 0.83 ERN1 (0.41) PDCD1CD274ALDH1A1TSHRMEN1
SCHEMBL31620987 0.81 PDCD1 (0.51) PDCD1CD274
SCHEMBL5711323 0.81 LMNA (0.57) ALDH1A1TSHRMEN1LMNATHRB
SCHEMBL96494 0.81 LMNA (0.57) ALDH1A1TSHRMEN1LMNATHRB

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-119431207-A Selenium-containing compound and preparation method and application thereof 浙江工业大学 2025-02-14 CN disclosed