SCHEMBL8066769

SCHEMBL8066769

O=S(=O)(c1ccccc1)c1cc(S(=O)(=O)c2ccccc2)c(O)c(S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.58
POLB P06746 1/20 0.56
GAA P10253 1/20 0.56
GFER P55789 1/20 0.56
HKDC1 Q2TB90 1/20 0.47
TSHR P16473 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ERAP1 Q9NZ08 1/20 0.44
HSD11B1 P28845 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL8723742 0.88 POLB (0.67) HTR6POLBGAAGFERHKDC1
SCHEMBL27208989 0.87 GAA (0.53) HTR6POLBGAAGFERTSHR
SCHEMBL12903976 0.83 HTR6 (0.57) HTR6POLBGAAGFERHKDC1
SCHEMBL899970 0.80 POLB (0.58) HTR6POLBGAAGFERHKDC1
SCHEMBL6534882 0.80 GAA (0.73) HTR6POLBGAAGFERHKDC1
SCHEMBL660467 0.80 GAA (0.73) HTR6POLBGAAGFERHKDC1
SCHEMBL1332008 0.79 HTR6 (0.82) HTR6POLBGAAGFERTSHR
(Phenylsulfonyl)Benzene SCHEMBL28237512 0.79 HTR6 (0.93) HTR6POLBGAAGFERTSHR
SCHEMBL18503833 0.78 HTR6 (0.64) HTR6POLBGAAGFERTSHR
SCHEMBL12903986 0.78 KMT2A (0.56) POLBGAAGFERHKDC1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104972780-A Thermosensitive recording material NANTONG VOLANT CHEM CORP 2015-10-14 CN claimed
CN-111619258-B Thermosensitive recording material and preparation method thereof 乐凯医疗科技有限公司 2021-10-19 CN disclosed
CN-111619258-A Thermosensitive recording material and preparation method thereof 乐凯医疗科技有限公司 2020-09-04 CN disclosed
CN-104972780-B A kind of thermal recording medium 南通沃兰化工有限公司 2018-09-28 CN disclosed
CN-104972780-A Thermosensitive recording material NANTONG VOLANT CHEM CORP 2015-10-14 CN disclosed
EP-1016656-A1 MOLECULAR COMPOUNDS CONTAINING PHENOL DERIVATIVES AS CONSTITUENT NIPPON SODA CO., LTD. (JP) 2000-07-05 EP disclosed