SCHEMBL9696092

SCHEMBL9696092

COCCOc1ccccc1OS(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
TP53 P04637 5/20 0.47
MAPT P10636 3/20 0.47
GLA P06280 1/20 0.47
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.41
CDK1 P06493 1/20 0.39
NAMPT P43490 1/20 0.39
HDAC1 Q13547 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
SCHEMBL8855117 0.92 GAA (0.51) GAATP53MAPTGLAKMT2A
SCHEMBL9696083 0.91 GAA (0.50) GAATP53MAPTGLAKMT2A
Ethoxysulfuron SCHEMBL29386240 0.89 GAA (0.53) GAATP53MAPTGLAKMT2A
Ethoxysulfuron SCHEMBL65311 0.89 GAA (0.53) GAATP53MAPTGLAKMT2A
Ethoxysulfuron SCHEMBL28150239 0.88 GAA (0.52) GAATP53MAPTGLAKMT2A
Ethoxysulfuron SCHEMBL2323273 0.88 GAA (0.52) GAATP53MAPTGLAKMT2A
SCHEMBL10462707 0.86 GAA (0.47) GAATP53MAPTGLAKMT2A
SCHEMBL9696411 0.85 GAA (0.49) GAATP53MAPTGLAKMT2A
SCHEMBL11190999 0.85 GAA (0.56) GAATP53MAPTGLAKMT2A
SCHEMBL8855277 0.83 GAA (0.53) GAATP53MAPTGLAKMT2A

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-5102443-A Free-and postemergenc herbicides HOECHST AKTIENGESELLSCHAFT (DE) 1992-04-07 US claimed
US-5102443-A Free-and postemergenc herbicides HOECHST AKTIENGESELLSCHAFT (DE) 1992-04-07 US disclosed