SCHEMBL29016170

SCHEMBL29016170

O=S(Oc1cnccc1O)Oc1cnccc1O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
CA14 Q9ULX7 2/20 0.35
CA1 P00915 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPKAPK2 P49137 1/20 0.33
DAO P14920 3/20 0.33
KDM5A P29375 1/20 0.33
ERN1 O75460 1/20 0.33
EP300 Q09472 1/20 0.32
KAT2B Q92831 1/20 0.32
KAT8 Q9H7Z6 1/20 0.32
RPS6KA3 P51812 1/20 0.31
CYP3A4 P08684 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30

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
Sulfurous Acid SCHEMBL29016173 0.70 KDM4E (0.38) CA12CA2CA9CA14CA1
Sulfurous Acid SCHEMBL30277940 0.70 KDM4E (0.38) CA12CA2CA9CA14CA1
SCHEMBL104908 0.68 MKNK1 (0.39) CA12CA2CA9CA1KDM4E
SCHEMBL28278268 0.67 KDM4E (0.33) CA12CA2CA9CA14CA1
SCHEMBL6976790 0.66 KMT2A (0.51) ALDH1A1GAA
SCHEMBL2283975 0.65
SCHEMBL20213796 0.65 ALOX15 (0.47) CA12CA2CA9CA14CA1
SCHEMBL1569720 0.64
SCHEMBL27947191 0.64
SCHEMBL10662167 0.64 LMNA (0.52) CA12CA2CA9CA14CA1

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-115873017-A Cyclic sulfite compound, electrolyte and lithium ion battery 比亚迪股份有限公司 2023-03-31 CN claimed
CN-115873017-A Cyclic sulfite compound, electrolyte and lithium ion battery 比亚迪股份有限公司 2023-03-31 CN disclosed