SCHEMBL27620706

SCHEMBL27620706

CN1c2ccc([N+](=O)[O-])cc2SCC1C=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 4/20 0.42
▸ ALDH1A1 P00352 6/20 0.40
▸ GAA P10253 4/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ CASP4 P49662 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ CASP9 P55211 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ L3MBTL1 Q9Y468 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
SCHEMBL27836274 0.82 SNCA (0.37) SNCAALDH1A1GAALMNACASP1
SCHEMBL27602089 0.78 NOX1 (0.38) SNCAALDH1A1GAAHTTL3MBTL1
SCHEMBL30123443 0.73 SNCA (0.49) SNCAALDH1A1GAALMNACASP1
SCHEMBL28572095 0.73 SIRT2 (0.45) ALDH1A1GAALMNACASP1CASP3
SCHEMBL5675185 0.72 SNCA (0.48) SNCAALDH1A1GAALMNACASP1
SCHEMBL9304911 0.71 SNCA (0.47) SNCAALDH1A1GAACASP1CASP3
SCHEMBL28439858 0.70 L3MBTL1 (0.39) ALDH1A1GAALMNASMN1; SMN2SIRT2
SCHEMBL27719437 0.70 L3MBTL1 (0.47) SNCAALDH1A1GAALMNACASP1
SCHEMBL3042154 0.70 LMNA (0.57) SNCAALDH1A1GAALMNACASP1
SCHEMBL27602097 0.69 SNCA (0.43) SNCAALDH1A1GAACASP3SMN1; SMN2

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-1639135-A N-aryl-2-oxazolidinone-5-amides and derivatives thereof and their use as antibacterial agents UPJOHN CO (US) 2005-07-13 — — CN disclosed
Send feedback