SCHEMBL8965133

SCHEMBL8965133

Cc1nc([C]=O)[nH]c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.32
MDM2 Q00987 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7323015 0.77 MAPT (0.46) ALDH1A1MAPTGAAMDM2SMN1; SMN2
SCHEMBL11754489 0.72 MAPT (0.36) ALDH1A1MAPTGAAMDM2SMN1; SMN2
SCHEMBL9762507 0.72 MAPT (0.39) ALDH1A1MAPTGAAMDM2SMN1; SMN2
SCHEMBL29105506 0.72 MAPT (0.36) ALDH1A1MAPTGAAMDM2SMN1; SMN2
SCHEMBL11077687 0.69 ALDH1A1 (0.34) ALDH1A1MAPTGAAMDM2SMN1; SMN2
SCHEMBL29105514 0.69 GFER (0.35) ALDH1A1MAPTGAAMDM2SMN1; SMN2
SCHEMBL29105510 0.69 ALDH1A1 (0.41) ALDH1A1MAPTGAAMDM2SMN1; SMN2
SCHEMBL5182827 0.68 MAPT (0.40) ALDH1A1MAPTGAAMDM2SMN1; SMN2
SCHEMBL11347718 0.68 ALDH1A1 (0.37) ALDH1A1MAPTGAAMDM2SMN1; SMN2
SCHEMBL9762410 0.66 ALOX15 (0.42) ALDH1A1MAPTGAAMDM2SMN1; 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
EP-0697022-A1 PHOSPHORAMIDATES USEFUL AS ANTITUMOR AGENTS Research Corporation Technologies, Inc (US) 1996-02-21 EP disclosed