SCHEMBL9762507

SCHEMBL9762507

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
ALDH1A1 P00352 5/20 0.39
TDP1 Q9NUW8 1/20 0.39
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TYMS P04818 5/20 0.34
GAA P10253 1/20 0.33
DHFR P00374 2/20 0.33
MDM2 Q00987 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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 0.80 MAPT (0.46) MAPTALDH1A1L3MBTL1GAAMDM2
SCHEMBL29105506 0.75 MAPT (0.36) MAPTALDH1A1GAAMDM2SMN1; SMN2
SCHEMBL11754489 0.75 MAPT (0.36) MAPTALDH1A1GAAMDM2SMN1; SMN2
SCHEMBL1716189 0.75 TYMS (0.44) MAPTALDH1A1TDP1PKMNPSR1
SCHEMBL29105514 0.72 GFER (0.35) MAPTALDH1A1GAAMDM2SMN1; SMN2
SCHEMBL11077687 0.72 ALDH1A1 (0.34) MAPTALDH1A1GAAMDM2SMN1; SMN2
SCHEMBL29105510 0.72 ALDH1A1 (0.41) MAPTALDH1A1GAAMDM2SMN1; SMN2
SCHEMBL8965133 0.72 ALDH1A1 (0.34) MAPTALDH1A1GAAMDM2SMN1; SMN2
SCHEMBL5182827 0.71 MAPT (0.40) MAPTALDH1A1PKMGAAMDM2
SCHEMBL11347718 0.71 ALDH1A1 (0.37) MAPTALDH1A1GAAMDM2SMN1; 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
US-5026694-A Antitumor agents THE BRITISH COLUMBIA CANCER FOUNDATION (CA) 1991-06-25 US disclosed