SCHEMBL13285486

SCHEMBL13285486

Nc1nc[nH]c1C(=O)NCc1ccno1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 1/20 0.43
ALDH1A1 P00352 3/20 0.42
GAA P10253 3/20 0.42
MAPK1 P28482 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
ALPG P10696 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KCNK3 O14649 1/20 0.35
SLC8A1 P32418 4/20 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
Hydrochloric Acid SCHEMBL7991215 0.76 ALDH1A1 (0.53) GDAALDH1A1GAAMAPK1L3MBTL1
Hydrochloric Acid SCHEMBL7991715 0.74 SMN1; SMN2 (0.54) ALDH1A1GAAMAPK1KDM4EMEN1
SCHEMBL15577656 0.70 CTSK (0.41) MAPK1MAPTKMT2AHSD17B10KCNK3
SCHEMBL23488327 0.69 POLB (0.47) ALDH1A1MAPK1KDM4EMEN1MAPT
SCHEMBL1588087 0.69 HPGD (0.43) ALDH1A1KDM4EMAPTSLC8A1
SCHEMBL21286900 0.67 GDA (0.60) GDAALDH1A1GAAL3MBTL1KDM4E
SCHEMBL2202786 0.67 GDA (0.60) GDAALDH1A1GAAMAPK1L3MBTL1
SCHEMBL22573515 0.66 ADORA2A (0.66) ALDH1A1
SCHEMBL17768819 0.65 ADORA2A (0.50)
SCHEMBL27877841 0.64 GDA (0.72) GDAALDH1A1GAAL3MBTL1KDM4E

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
WO-2010081145-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLAXOSMITHKLINE LLC (US) 2010-07-15 WO disclosed
WO-2009011787-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. (US) 2009-01-22 WO disclosed