SCHEMBL28326103

SCHEMBL28326103

CN1C(C(=O)O)C1c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.46
▸ SLC6A4 P31645 1/20 0.40
▸ RIPK1 Q13546 1/20 0.39
▸ AKR1C3 P42330 1/20 0.37

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
SCHEMBL28878018 0.68 ENPP2 (0.42) ENPP2SLC6A4RIPK1AKR1C3
SCHEMBL15212214 0.68 FFAR1 (0.54) ENPP2SLC6A4RIPK1
SCHEMBL2376239 0.66 ENPP2 (0.72) ENPP2
SCHEMBL14624308 0.65 GPR119 (0.51) AKR1C3
SCHEMBL1535 0.65 ENPP2 (1.00) ENPP2
SCHEMBL34837 0.64 CA2 (0.61) ENPP2AKR1C3
SCHEMBL12828069 0.63 PNMT (0.51) AKR1C3
SCHEMBL28326096 0.63 AKR1C3 (0.42) ENPP2AKR1C3
SCHEMBL28204143 0.63 AKR1C3 (0.42) ENPP2AKR1C3
SCHEMBL13176976 0.62 PTGS2 (0.51) ENPP2

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-107827791-B A kind of synthetic method of stable isotope labeling Thiamphenicol 山东辉璟生物医药科技有限公司 2019-09-24 — — CN disclosed
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