SCHEMBL28346097

SCHEMBL28346097

N#C[Se]c1coc2c(Cl)cc(Cl)cc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.52
▸ PDE10A Q9Y233 1/20 0.37
▸ GPR35 Q9HC97 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TPST2 O60704 2/20 0.34
▸ SULT1E1 P49888 2/20 0.34
▸ CSNK2A2 P19784 1/20 0.33
▸ CSNK2B P67870 1/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ CSNK2A3 Q8NEV1 1/20 0.33
▸ AHR P35869 2/20 0.32
▸ MARK4 Q96L34 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
SCHEMBL981569 0.77 PTPN1 (0.56) PTPN1PDE10AGPR35MEN1KMT2A
SCHEMBL8171800 0.71 PTPN1 (0.61) PTPN1PDE10AMEN1KMT2ATPST2
SCHEMBL5708656 0.69 PTPN1 (1.00) PTPN1PDE10AMEN1KMT2ATPST2
SCHEMBL11541084 0.69 PTPN1 (0.58) PTPN1PDE10AMEN1KMT2ATPST2
SCHEMBL11262105 0.68 PTPN1 (0.56) PTPN1PDE10AGPR35MEN1KMT2A
SCHEMBL8815638 0.66 AHR (0.57) PTPN1GPR35CSNK2A2CSNK2BCSNK2A1
SCHEMBL28346151 0.66 MAOB (0.47) PTPN1
SCHEMBL28349415 0.65 MAPT (0.41) PTPN1MEN1KMT2A
SCHEMBL28349032 0.65 ALDH1A1 (0.48) KMT2A
SCHEMBL10910714 0.63 PTPN1 (0.50) PTPN1PDE10AMEN1KMT2ATPST2

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-110563632-B Electrophilic selenocyanization reagent and preparation method and application thereof 南宁师范大学 2022-11-25 — — CN disclosed
CN-110563632-A electrophilic selenocyanization reagent and preparation method and application thereof 南宁师范大学 2019-12-13 — — CN disclosed
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