SCHEMBL29208197

SCHEMBL29208197

N#Cc1ccc2c(cc(I)n2S(=O)(=O)c2ccccc2)c1Br

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 2/20 0.39
▸ HTR6 P50406 13/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ IMPDH2 P12268 1/20 0.35
▸ PTGDR Q13258 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL28952988 0.81 HTR6 (0.41) SRCHTR6PTGDRPTGDR2
SCHEMBL31304851 0.76 HTR6 (0.44) SRCHTR6
SCHEMBL29208205 0.75 HTR6 (0.51) HTR6
SCHEMBL15747081 0.73 ACLY (0.47) SRCHTR6
SCHEMBL17105339 0.72 PTGDR2 (0.40) SRCCNR2PTGDR2
SCHEMBL20596677 0.72 SRC (0.41) SRCHTR6MAOAMAOBCNR2
SCHEMBL2432894 0.71 BRD4 (0.43) SRCHTR6MAOACNR2IMPDH2
SCHEMBL23144383 0.70 HTR6 (0.48) SRCHTR6
SCHEMBL2110900 0.70 HTR6 (0.44) SRCHTR6CNR2
SCHEMBL17422770 0.70 HTR6 (0.42) SRCHTR6

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-117986235-A P53-Y220C selective small molecule reactivation agent compound, pharmaceutical composition and application thereof 长春金赛药业有限责任公司 2024-05-07 — — CN disclosed
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