SCHEMBL8562004

SCHEMBL8562004

CSc1nc(I)cc(OCc2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.46
PTGES O14684 1/20 0.46
NUDT1 P36639 1/20 0.46
ADORA3 P0DMS8 1/20 0.44
ADORA1 P30542 1/20 0.44
PPARG P37231 3/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK14 Q16539 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
HSP90AA1 P07900 1/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
STAT3 P40763 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8557424 0.85 KMT2A (0.61) ALOX5PTGESNUDT1ADORA3ADORA1
SCHEMBL8561075 0.84 ALOX5 (0.48) ALOX5PTGESNUDT1ADORA3ADORA1
SCHEMBL8558770 0.84 ALOX5 (0.48) ALOX5PTGESNUDT1ADORA3ADORA1
SCHEMBL8561459 0.80 PTGES (0.43) ALOX5PTGESNUDT1ADORA3ADORA1
SCHEMBL3545118 0.78 ALKBH1 (0.43) ALOX5PTGESNUDT1ADORA3ADORA1
SCHEMBL31129630 0.77 NUDT1 (0.51) ALOX5NUDT1HTTHRH4ALDH1A1
SCHEMBL8559618 0.74 NUDT1 (0.44) ALOX5PTGESNUDT1ADORA3ADORA1
SCHEMBL21240944 0.73 GABRG2 (0.46) NUDT1HTTMAPK14ALDH1A1PKM
SCHEMBL3875774 0.73 LMNA (0.46) MAPK14ALDH1A1GAALMNAL3MBTL1
SCHEMBL2521216 0.71 ALOX5 (0.60) ALOX5NUDT1KMT2AMEN1GAA

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
US-5726128-A Benzyloxypyrimidine derivative, processes for producing the same and herbicidal composition KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-03-10 US disclosed
EP-0707001-A1 Benzyloxypyrimidine derivative, processes for producing the same and herbicidal composition KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-04-17 EP disclosed