SCHEMBL8559618

SCHEMBL8559618

CS(=O)(=O)c1nc(I)cc(OCc2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.40
AR P10275 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
PKM P14618 1/20 0.40
ALOX5 P09917 2/20 0.39
PTGES O14684 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
TLR7 Q9NYK1 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA1 P30542 1/20 0.38
CYP19A1 P11511 1/20 0.38
STAT3 P40763 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA12 O43570 1/20 0.37

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
SCHEMBL8558105 0.86 ALDH1A1 (0.48) NUDT1SMN1; SMN2LMNANPC1AR
SCHEMBL8558749 0.86 NUDT1 (0.44) NUDT1SMN1; SMN2LMNANPC1AR
SCHEMBL8562901 0.84 SMN1; SMN2 (0.45) NUDT1SMN1; SMN2LMNANPC1AR
SCHEMBL8560362 0.81 SDHB (0.56) SMN1; SMN2LMNANPC1HPGDRAB9A
SCHEMBL3543675 0.79 ALKBH1 (0.44) NUDT1SMN1; SMN2NPC1ARHPGD
SCHEMBL31129630 0.74 NUDT1 (0.51) NUDT1SMN1; SMN2LMNAPKMALOX5
SCHEMBL3875432 0.74 SDHB (0.51) SMN1; SMN2LMNAHPGDRAB9ASTAT3
SCHEMBL8562004 0.74 ALOX5 (0.46) NUDT1SMN1; SMN2LMNAPKMALOX5
SCHEMBL8561100 0.73 LMNA (0.61) SMN1; SMN2LMNANPC1HPGDRAB9A
SCHEMBL8167810 0.71 PDE2A (0.48) SMN1; SMN2LMNANPC1HPGDRAB9A

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