SCHEMBL28916911

SCHEMBL28916911

CCON1c2ccccc2SC1CC

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.37
▸ PPARG P37231 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAOA P21397 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HTT P42858 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ LMNA P02545 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL11515966 0.75 MAOA (0.41) BCHEPPARGPOLBMAOASMN1; SMN2
SCHEMBL28584671 0.72 PPARG (0.42) PPARGMAPTPOLBMAOASMN1; SMN2
SCHEMBL7611171 0.67 BCHE (0.56) BCHEMAPTPOLBMAOASMN1; SMN2
SCHEMBL7992802 0.66 MAOA (0.42) PPARGMAPTPOLBMAOASMN1; SMN2
SCHEMBL8525463 0.65 PPARG (0.39) BCHEPPARGPOLBALDH1A1TSHR
Hydrogen Sulfide SCHEMBL813627 0.64 PPARG (0.38) BCHEPPARGPOLBALDH1A1TSHR
SCHEMBL5806333 0.63 MAOA (0.39) PPARGPOLBMAOASMN1; SMN2ALDH1A1
SCHEMBL28704042 0.63 BCHE (0.39) BCHEMAOASMN1; SMN2ALDH1A1LMNA
SCHEMBL7528727 0.62 SMN1; SMN2 (0.46) PPARGMAPTSMN1; SMN2ALDH1A1TSHR
Hydrogen Sulfide SCHEMBL7021865 0.62 PPARG (0.39) BCHEPPARGPOLBSMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113024483-A Preparation method of 2-substituted benzothiazole derivative 无锡鸣鹭医药科技有限公司 2021-06-25 — — CN claimed
CN-113024483-A Preparation method of 2-substituted benzothiazole derivative 无锡鸣鹭医药科技有限公司 2021-06-25 — — CN disclosed
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