SCHEMBL9696083

SCHEMBL9696083

COc1cc(OC)nc(NC(=O)NS(=O)(=O)Oc2ccccc2OCCCl)n1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
TP53 P04637 5/20 0.46
MAPT P10636 4/20 0.46
GLA P06280 1/20 0.46
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 2/20 0.39
CDK1 P06493 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL9696092 0.91 GAA (0.51) GAATP53MAPTGLACYP1A2
SCHEMBL8855117 0.91 GAA (0.51) GAATP53MAPTGLACYP1A2
Ethoxysulfuron SCHEMBL29386240 0.88 GAA (0.53) GAATP53MAPTGLACYP1A2
Ethoxysulfuron SCHEMBL65311 0.88 GAA (0.53) GAATP53MAPTGLACYP1A2
Ethoxysulfuron SCHEMBL2323273 0.87 GAA (0.52) GAATP53MAPTGLACYP1A2
Ethoxysulfuron SCHEMBL28150239 0.87 GAA (0.52) GAATP53MAPTGLACYP1A2
SCHEMBL10462706 0.86 GAA (0.47) GAATP53MAPTGLACYP1A2
SCHEMBL10728126 0.85 GAA (0.55) GAATP53MAPTGLACYP1A2
Ethoxysulfuron SCHEMBL23420746 0.85 GAA (0.44) GAATP53MAPTGLAKMT2A
SCHEMBL9696411 0.84 GAA (0.49) GAATP53MAPTGLACYP1A2

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