SCHEMBL8478141

SCHEMBL8478141

CCOc1nc2ccccn2c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
MAPT P10636 2/20 0.43
TP53 P04637 2/20 0.43
GLA P06280 1/20 0.43
HTR6 P50406 1/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
CDK1 P06493 1/20 0.41
CYP1A2 P05177 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
SCHEMBL8480505 0.92 GAA (0.53) GAAMAPTTP53GLAHTR6
SCHEMBL12633039 0.89 GAA (0.46) GAAMAPTTP53GLAALDH1A1
Sulfosulfuron SCHEMBL66574 0.86 GAA (0.49) GAAMAPTTP53GLAALDH1A1
SCHEMBL8535700 0.85 GAA (0.52) GAAMAPTTP53GLAALDH1A1
SCHEMBL8477231 0.85 GAA (0.52) GAAMAPTTP53GLAALDH1A1
SCHEMBL55236 0.85 GAA (0.52) GAAMAPTTP53GLAALDH1A1
SCHEMBL8477647 0.85 GAA (0.57) GAAMAPTTP53GLAALDH1A1
SCHEMBL8478329 0.85 GAA (0.48) GAAMAPTTP53GLAALDH1A1
SCHEMBL8480476 0.83 GAA (0.50) GAAMAPTTP53GLAHTR6
Sulfosulfuron SCHEMBL8476425 0.83 GAA (0.46) GAAMAPTTP53GLAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5990048-A METRIBUZIN AND SULFOSULFURON (2-ETHYLSULFONYL-N-(((4,6-DIMETHOXY-PYRIMIDIN-2 -YL)AMINO)CARBONYL)IMIDAZO(1,2-A)PYRIDINE-3-SULFONAMIDE) ACT SYNERGISTICALLY AT SPECIFIC WEIGHT RATIOS BAYER AKTIENGESELLSCHAFT (DE) 1999-11-23 US disclosed