SCHEMBL9811249

SCHEMBL9811249

O=C(N[C@H]1CNNC1=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 15/20 0.54
ASAH1 Q13510 3/20 0.50
EPHX1 P07099 1/20 0.43
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42

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
SCHEMBL9811243 1.00 NAAA (0.54) NAAAASAH1EPHX1DPP8DPP9
SCHEMBL9811239 1.00 NAAA (0.54) NAAAASAH1EPHX1DPP8DPP9
SCHEMBL9811485 0.83 NAAA (0.65) NAAAASAH1
SCHEMBL9811492 0.83 NAAA (0.65) NAAAASAH1
SCHEMBL9811247 0.81 NAAA (0.60) NAAAASAH1
SCHEMBL9811252 0.81 NAAA (0.60) NAAAASAH1
SCHEMBL9811242 0.81 NAAA (0.60) NAAAASAH1
SCHEMBL9668434 0.81 ALDH1A1 (0.52) NAAAASAH1EPHX1
Hydrochloric Acid SCHEMBL5723839 0.78 EPHX1 (0.52) NAAAEPHX1DPP8DPP9
SCHEMBL2299040 0.75 IDO1 (0.58)

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
EP-0202795-B1 4-SUBSTITUTED DIAZOLIDINONES ELI LILLY AND COMPANY (US) 1991-06-12 EP disclosed
US-4826993-A Substituted diazolidinones ELI LILLY AND COMPANY (US) 1989-05-02 US disclosed
EP-0202795-A1 4-Substituted diazolidinones ELI LILLY AND COMPANY (US) 1986-11-26 EP disclosed