SCHEMBL8780934

SCHEMBL8780934

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

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.61
CYP1A2 P05177 1/20 0.58
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.49
GLA P06280 1/20 0.49
CDK1 P06493 1/20 0.47
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.39
HTT P42858 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
SCHEMBL10859355 0.86 GAA (0.63) GAACYP1A2MAPTTP53GLA
SCHEMBL8676026 0.86 GAA (0.63) GAACYP1A2MAPTTP53GLA
SCHEMBL7800046 0.84 GAA (0.61) GAACYP1A2MAPTTP53GLA
SCHEMBL8859618 0.83 GAA (0.60) GAACYP1A2MAPTTP53GLA
SCHEMBL8431787 0.83 CYP1A2 (0.75) GAACYP1A2MAPTTP53GLA
SCHEMBL9086239 0.81 GAA (0.57) GAACYP1A2MAPTTP53GLA
SCHEMBL10616100 0.80 GAA (0.60) GAACYP1A2MAPTTP53GLA
SCHEMBL10616134 0.80 GAA (0.67) GAACYP1A2MAPTTP53GLA
SCHEMBL28751116 0.80 GAA (0.56) GAACYP1A2MAPTTP53GLA
SCHEMBL10670178 0.79 GAA (0.77) GAACYP1A2MAPTTP53GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1100755-C Aminophenyl ketone derivative and preparation method thereof AMERICAN CYANIAMID CO (US) 2003-02-05 CN disclosed
CN-1185430-A Aminophenyl ketone derivative and preparation method thereof AMERICAN CYANIAMID CO (US) 1998-06-24 CN disclosed
EP-0661275-B1 1-alpha-cyclopropyl-alpha-(substituted oxy)-o-tolyl sulfamoyl -3-(4,6-dimethoxy-2-pyrimidinyl)urea herbicidal agents AMERICAN CYANAMID CO (US) 1997-06-18 EP disclosed
EP-0661275-A1 1-alpha-cyclopropyl-alpha-(substituted oxy)-o-tolyl sulfamoyl -3-(4,6-dimethoxy-2-pyrimidinyl)urea herbicidal agents AMERICAN CYANAMID COMPANY (US) 1995-07-05 EP disclosed
CN-1088910-A In the preparation crop-selective herbicides as the 4-hydroxyl-2 of intermediate '-nitro n-butyrophenone and tetrahydrochysene-2-(o-nitrophenyl)-2-furans alcohol AMERICAN CYANAMID CO (US) 1994-07-06 CN disclosed