SCHEMBL8824005

SCHEMBL8824005

Ic1ccc(CSCc2ccc(I)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.45
CYP3A4 P08684 2/20 0.44
IDO1 P14902 2/20 0.44
DAO P14920 1/20 0.40
ACE P12821 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
CDC7 O00311 1/20 0.37
DBF4 Q9UBU7 1/20 0.37
CYP2D6 P10635 1/20 0.37
FOLH1 Q04609 1/20 0.36

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
SCHEMBL8007514 0.85 APP (0.44) APPCYP3A4IDO1DAOACE
SCHEMBL13271320 0.80 APP (0.44) APPCYP3A4IDO1DAOCYP1A2
SCHEMBL514628 0.78 APP (0.47) APPCYP3A4IDO1DAOCYP1A2
SCHEMBL514627 0.78 APP (0.42) APPCYP3A4IDO1DAOCYP1A2
SCHEMBL2339844 0.78 HTT (0.61) ACECYP1A2CYP2C19CYP2D6FOLH1
SCHEMBL25015314 0.76 APP (0.71) APPCYP3A4IDO1DAOCDC7
SCHEMBL8824002 0.76 APP (0.46) APPCYP3A4IDO1DAO
SCHEMBL15630618 0.75 LMNA (0.56) APPCYP3A4IDO1CYP1A2CYP2C9
SCHEMBL2092382 0.73
SCHEMBL22190286 0.72 APP (0.39) APPCYP3A4IDO1DAOCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120004934-A Preparation method of benzo-silicon-containing octatomic ring compound 郑州大学 2025-05-16 CN disclosed
CN-115354350-B Method for in-situ nitration of electrocatalytic halogenated aromatic hydrocarbon 平顶山学院 2025-02-25 CN disclosed
CN-112689637-B Imidazopyridone compounds 橘生药品工业株式会社 2023-11-10 CN disclosed
CN-115772103-A Method for preparing sulfoxide compound by catalytic oxidation of thioether 华东师范大学 2023-03-10 CN disclosed
CN-115354350-A Method for electrocatalytic in-situ nitration of halogenated aromatic hydrocarbon 平顶山学院 2022-11-18 CN disclosed
CN-113322490-B In-situ synthesized copper nanowire array material and preparation method and application thereof 天津大学 2022-05-24 CN disclosed
CN-114409714-A Method for synthesizing 1, 3-disubstituted planar chiral metallocene compound 武汉大学 2022-04-29 CN disclosed
CN-113322490-A In-situ synthesized copper nanowire array material and preparation method and application thereof 天津大学 2021-08-31 CN disclosed
CN-112689637-A Imidazopyridinone compounds 橘生药品工业株式会社 2021-04-20 CN disclosed
US-5684130-A Process for synthesis of organic compounds using magnetic particles SOLID PHASE SCIENCES CORPORATION (US) 1997-11-04 US disclosed