SCHEMBL31222336

SCHEMBL31222336

CNc1cc(Cl)c(Sc2ccccc2)cc1Sc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 3/20 0.43
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ BLM P54132 1/20 0.36
▸ PDE7B Q9NP56 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA3 P07451 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA13 Q8N1Q1 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
SCHEMBL31222333 0.79 PDE7A (0.46) PDE7AMEN1KMT2AL3MBTL1MAPK1
SCHEMBL27999927 0.79 L3MBTL1 (0.56) PDE7AMEN1KMT2AL3MBTL1MAPK1
SCHEMBL31222354 0.79 MAPT (0.35) MEN1KMT2AL3MBTL1ALDH1A1BLM
Hydrochloric Acid SCHEMBL28000151 0.78 L3MBTL1 (0.55) PDE7AMEN1KMT2AL3MBTL1MAPK1
SCHEMBL11300501 0.75 MEN1 (0.69) PDE7AMEN1KMT2AMAPK1ALDH1A1
SCHEMBL31222355 0.75 MAOA (0.42) MEN1KMT2AL3MBTL1ALDH1A1BLM
SCHEMBL31222351 0.74 MAOA (0.41) PDE7AMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL31222335 0.74 L3MBTL1 (0.44) MEN1KMT2AL3MBTL1MAPK1ALDH1A1
SCHEMBL13374975 0.74 TDP1 (0.53) MEN1KMT2AL3MBTL1MAPK1ALDH1A1
SCHEMBL31222322 0.72 L3MBTL1 (0.43) MEN1KMT2AL3MBTL1MAPK1ALDH1A1

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-118993825-A Method for preparing aromatic thioether derivative by promoting copper-mediated aryl C-H bond vulcanization by organic acid 安徽工业大学 2024-11-22 — — CN disclosed
Send feedback