SCHEMBL8780845

SCHEMBL8780845

COc1cc(OC)nc(NC(=O)NS(=O)(=O)Nc2ccccc2C(OC(C)=O)C2CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
CYP1A2 P05177 1/20 0.38
CDK1 P06493 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX15 P16050 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HDAC1 Q13547 1/20 0.33
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ADRB2 P07550 1/20 0.32

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
SCHEMBL8780754 0.87 GAA (0.45) GAAMAPTTP53GLACYP1A2
SCHEMBL8780753 0.87 GAA (0.45) GAAMAPTTP53GLACYP1A2
Acetic Acid SCHEMBL8780814 0.86 GAA (0.43) GAAMAPTTP53GLACYP1A2
SCHEMBL8380205 0.79 GAA (0.51) GAAMAPTTP53GLACYP1A2
SCHEMBL9316954 0.79 GAA (0.48) GAAMAPTTP53GLACYP1A2
SCHEMBL53468 0.78 GAA (0.47) GAAMAPTTP53GLACYP1A2
SCHEMBL29510603 0.78 GAA (0.47) GAAMAPTTP53GLACYP1A2
SCHEMBL6812884 0.77 GAA (0.47) GAAMAPTTP53GLACYP1A2
SCHEMBL8633328 0.77 GAA (0.47) GAAMAPTTP53GLACYP1A2
SCHEMBL10949384 0.76 GAA (0.52) GAAMAPTTP53GLACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5464808-A Plant growth regulators AMERICAN CYANAMID COMPANY (US) 1995-11-07 US claimed
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
US-5464808-A Plant growth regulators AMERICAN CYANAMID COMPANY (US) 1995-11-07 US 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