SCHEMBL11220123

SCHEMBL11220123

CCN(CC)c1nc(C)nc(O)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.37
GAA P10253 2/20 0.37
MAP2K7 O14733 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 4/20 0.33
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 1/20 0.33
ALPL P05186 1/20 0.33
ALPI P09923 1/20 0.33
ALPG P10696 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
COMT P21964 1/20 0.33
PPIA P62937 2/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 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
SCHEMBL9124018 0.88 TDP1 (0.38) TDP1GAAMAP2K7SMN1; SMN2ALDH1A1
SCHEMBL9122183 0.81 SMN1; SMN2 (0.36) TDP1GAASMN1; SMN2ALDH1A1MAPT
SCHEMBL9124844 0.81 MAPT (0.37) TDP1GAASMN1; SMN2ALDH1A1MAPT
SCHEMBL596867 0.78 TDP1 (0.38) TDP1ALDH1A1MAPTL3MBTL1ALPL
SCHEMBL9124609 0.78 ALDH1A1 (0.39) TDP1GAASMN1; SMN2ALDH1A1MAPT
SCHEMBL11499585 0.76 TDP1 (0.50) TDP1GAAALDH1A1MAPTRAB9A
SCHEMBL28759722 0.74 TDP1 (0.46) TDP1GAASMN1; SMN2ALDH1A1MAPT
SCHEMBL7078865 0.73 MAPT (0.37) TDP1SMN1; SMN2ALDH1A1MAPTL3MBTL1
SCHEMBL9124973 0.73 CRHR1 (0.48) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL6295020 0.71 CRHR1 (0.42) TDP1MAPTMAPK1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57035591-A None JP disclosed
JP-S5735591-A NOVEL PYRIMIDINE DERIVATIVE MOCHIDA PHARMACEUT CO LTD 1982-02-26 JP disclosed