SCHEMBL31297763

SCHEMBL31297763

[2H]c1ccc2c(c1)c1ccccc1n2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.56
AGTR1 P30556 3/20 0.53
PSEN1 P49768 1/20 0.53
PSEN2 P49810 1/20 0.53
APH1B Q8WW43 1/20 0.53
NCSTN Q92542 1/20 0.53
APH1A Q96BI3 1/20 0.53
PSENEN Q9NZ42 1/20 0.53
GAA P10253 2/20 0.51
ALDH3A1 P30838 2/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PCSK9 Q8NBP7 2/20 0.49
NOD1 Q9Y239 2/20 0.49
CXCL8 P10145 1/20 0.49
NOD2 Q9HC29 1/20 0.49
KDM4E B2RXH2 1/20 0.49
UBE2N P61088 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 2/20 0.48

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
SCHEMBL17297375 0.91 HTR6 (0.67) HTR6AGTR1PSEN1PSEN2APH1B
SCHEMBL29357508 0.91 HTR6 (0.67) HTR6AGTR1PSEN1PSEN2APH1B
SCHEMBL9901345 0.84 PSEN1 (0.62) HTR6AGTR1PSEN1PSEN2APH1B
SCHEMBL18713502 0.83 HTR6 (0.58) HTR6AGTR1PSEN1PSEN2APH1B
Carbazole SCHEMBL28414465 0.81 HTR6 (0.55) HTR6AGTR1PSEN1PSEN2APH1B
SCHEMBL1278656 0.78 HTR6 (0.53) HTR6AGTR1PSEN1PSEN2APH1B
SCHEMBL8545151 0.78 PSEN1 (0.59) HTR6AGTR1PSEN1PSEN2APH1B
SCHEMBL8545209 0.78 HTR6 (0.53) HTR6AGTR1PSEN1PSEN2APH1B
SCHEMBL30159837 0.78 PCSK9 (0.57) HTR6AGTR1PSEN1PSEN2APH1B
SCHEMBL26104217 0.78 PCSK9 (0.57) HTR6AGTR1PSEN1PSEN2APH1B

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-119241326-A Method for preparing deuterated aromatic hydrocarbon by catalyzing arylthianthrene salt through visible light 郑州大学 2025-01-03 CN disclosed