SCHEMBL21693751

SCHEMBL21693751

CC(C)(O[PH](=O)OC(C)(C)C(=O)C=[N+]=[N-])C(=O)C=[N+]=[N-]

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL5217414 0.71
SCHEMBL4745168 0.66 GAA (0.32)
SCHEMBL1549645 0.63 DGAT1 (0.39) ALDH1A1KMT2A
SCHEMBL25275692 0.63
SCHEMBL17535899 0.61 NPSR1 (0.40) NPSR1MEN1ALDH1A1HTTKMT2A
SCHEMBL42660 0.61 MEN1 (0.38) NPSR1MEN1ALDH1A1HTTKMT2A
SCHEMBL16828345 0.60 ALDH1A1 (0.34) MEN1ALDH1A1HTTKMT2AHIF1A
SCHEMBL16828348 0.58 ALDH1A1 (0.36) MEN1ALDH1A1HTTKMT2AHIF1A
SCHEMBL9183730 0.58 NPSR1 (0.41) NPSR1MEN1ALDH1A1HTTKMT2A
SCHEMBL334886 0.57 ALDH1A1 (0.35) MEN1ALDH1A1HTTKMT2AHIF1A

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
WO-2020030107-A1 PHARMACEUTICAL COMPOSITION CONTAINING AMIDE DERIVATIVES, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 江苏豪森药业集团有限公司 2020-02-13 WO disclosed