SCHEMBL8475296

SCHEMBL8475296

CC[S+]([O-])c1nc2ccccn2c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
MAPT P10636 3/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
CDK1 P06493 1/20 0.39
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL8479483 0.91 GAA (0.52) GAAMAPTTP53GLACDK1
SCHEMBL8480505 0.85 GAA (0.53) GAAMAPTTP53GLACDK1
SCHEMBL8478141 0.83 GAA (0.49) GAAMAPTTP53GLACDK1
Sulfosulfuron SCHEMBL66574 0.83 GAA (0.49) GAAMAPTTP53GLACDK1
SCHEMBL55236 0.82 GAA (0.52) GAAMAPTTP53GLACDK1
SCHEMBL8477231 0.82 GAA (0.52) GAAMAPTTP53GLACDK1
SCHEMBL8535700 0.82 GAA (0.52) GAAMAPTTP53GLACDK1
SCHEMBL8477647 0.82 GAA (0.57) GAAMAPTTP53GLACDK1
SCHEMBL8478329 0.82 GAA (0.48) GAAMAPTTP53GLACDK1
SCHEMBL8480476 0.81 GAA (0.50) GAAMAPTTP53GLACDK1

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