SCHEMBL8558749

SCHEMBL8558749

CS(=O)(=O)c1nc(Cl)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
GRM5 P41594 2/20 0.41
TLR7 Q9NYK1 1/20 0.41
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
PTGS2 P35354 1/20 0.40
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
PRMT5 O14744 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA1 P30542 1/20 0.38
MCL1 Q07820 1/20 0.38

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; SMN2LMNAGRM5NPC1
SCHEMBL8559618 0.86 NUDT1 (0.44) NUDT1SMN1; SMN2LMNATLR7NPC1
SCHEMBL8167810 0.85 PDE2A (0.48) SMN1; SMN2LMNANPC1HPGDRAB9A
SCHEMBL8562901 0.84 SMN1; SMN2 (0.45) NUDT1SMN1; SMN2LMNATLR7NPC1
SCHEMBL8560362 0.81 SDHB (0.56) SMN1; SMN2LMNANPC1HPGDRAB9A
SCHEMBL3543675 0.79 ALKBH1 (0.44) NUDT1SMN1; SMN2GRM5NPC1AR
SCHEMBL603696 0.79 NUDT1 (0.48) NUDT1SMN1; SMN2GRM5PKMPTGES
SCHEMBL9432390 0.79 SMN1; SMN2 (0.50) SMN1; SMN2LMNANPC1RAB9APTGS2
SCHEMBL8384805 0.77 PIN1 (0.47) NUDT1GRM5NPC1PKMPTGES
SCHEMBL3930094 0.76 NUDT1 (0.62) NUDT1SMN1; SMN2LMNAGRM5NPC1

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