SCHEMBL1111272

SCHEMBL1111272

COc1nc(C)nc(N(C(=O)O)C(=O)O)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CTSK P43235 1/20 0.35
TSHR P16473 3/20 0.35
MAPK1 P28482 1/20 0.35
CASP7 P55210 1/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 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
SCHEMBL3789241 0.88 CYP1A2 (0.41) GAALMNATDP1ALDH1A1SMN1; SMN2
SCHEMBL7953014 0.84 GAA (0.39) GAALMNATDP1ALDH1A1SMN1; SMN2
SCHEMBL13026214 0.84 GAA (0.39) GAALMNATDP1ALDH1A1SMN1; SMN2
SCHEMBL8795165 0.76 NPSR1 (0.42) LMNATDP1ALDH1A1TSHRMAPK1
SCHEMBL10415281 0.72 GAA (0.37) GAAALDH1A1
SCHEMBL9027723 0.71 CYP1A2 (0.44) GAALMNATDP1ALDH1A1SMN1; SMN2
SCHEMBL11066173 0.69 TSHR (0.35) GAAALDH1A1SMN1; SMN2CTSKTSHR
SCHEMBL8740196 0.67 KMT2A (0.43) GAALMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL9256983 0.65 GAA (0.35) GAALMNATDP1ALDH1A1TSHR
SCHEMBL10637875 0.64 GAA (0.38) GAALMNATDP1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2278881-A1 HERBICIDAL COMPOUNDS BASED ON N-AZINYL-N'-PHENYLSULFONYLUREAS Bayer CropScience AG (DE) 2011-02-02 EP disclosed
WO-2009127378-A1 HERBICIDAL COMPOUNDS BASED ON N-AZINYL-N'-PHENYLSULFONYLUREAS BAYER CROPSCIENCE AG (DE) 2009-10-22 WO disclosed
EP-2110019-A1 Herbicidal compounds based on N-Azinyl-N'-phenylsulfonylureas Bayer CropScience AG (DE) 2009-10-21 EP disclosed