SCHEMBL29600264

SCHEMBL29600264

O=c1[nH]c(=O)c2[nH]c(S(=O)(=O)O)nc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.47
▸ XDH P47989 3/20 0.47
▸ ADORA2B P29275 2/20 0.44
▸ HSD17B10 Q99714 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ GDA Q9Y2T3 2/20 0.39
▸ ACHE P22303 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ RPS6KA3 P51812 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ BLM P54132 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ PABPC1 P11940 1/20 0.33
▸ ADORA2A P29274 1/20 0.33

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
SCHEMBL7920821 0.81 MAPT (0.52) MAPTXDHADORA2BHSD17B10ALDH1A1
Uric Acid SCHEMBL2786719 0.72 MAPT (0.53) MAPTXDHADORA2BHSD17B10ALDH1A1
SCHEMBL6796628 0.72 ADORA2B (0.64) XDHADORA2BHSD17B10ALDH1A1CYP3A4
SCHEMBL932609 0.68 MAPT (0.53) MAPTXDHADORA2BHSD17B10ALDH1A1
SCHEMBL2837685 0.68 MAPT (0.53) MAPTXDHADORA2BHSD17B10ALDH1A1
SCHEMBL30537976 0.68 ALDH1A1 (0.60) MAPTXDHADORA2BHSD17B10ALDH1A1
SCHEMBL932949 0.68 MAPT (0.53) MAPTXDHADORA2BHSD17B10ALDH1A1
SCHEMBL740931 0.68 MAPT (0.53) MAPTXDHADORA2BHSD17B10ALDH1A1
SCHEMBL29737686 0.68 MAPT (0.53) MAPTXDHADORA2BHSD17B10ALDH1A1
Uric Acid SCHEMBL28407297 0.68 MAPT (0.53) MAPTXDHADORA2BHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111040081-B Preparation method of cellulose ether with high suspension, strong rheology and bleeding resistance 广州建涂堡建材有限公司 2023-04-18 — — CN disclosed
CN-114887000-A Application of lemongrass medicine 云南农业大学 2022-08-12 — — CN disclosed
CN-113082300-B Antibacterial and anticoagulant coating, preparation method and application thereof 西南交通大学 2022-05-31 — — CN disclosed
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