SCHEMBL8633328

SCHEMBL8633328

COc1cc(OC)nc(NC(=O)NS(=O)(=O)Nc2ccccc2CC2CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
GLA P06280 1/20 0.45
CDK1 P06493 1/20 0.40
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PIK3CG P48736 2/20 0.39
KMT2A Q03164 1/20 0.39
HDAC1 Q13547 1/20 0.38
ALOX15 P16050 1/20 0.38
CCR3 P51677 3/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL9316954 0.83 GAA (0.48) GAAMAPTTP53GLACDK1
SCHEMBL53468 0.82 GAA (0.47) GAAMAPTTP53GLACDK1
SCHEMBL10944770 0.82 TSHR (0.51) GAAMAPTTP53GLAALDH1A1
SCHEMBL29510603 0.82 GAA (0.47) GAAMAPTTP53GLACDK1
SCHEMBL6812884 0.82 GAA (0.47) GAAMAPTTP53GLACDK1
SCHEMBL10949384 0.81 GAA (0.52) GAAMAPTTP53GLACDK1
SCHEMBL10950577 0.80 ALDH1A1 (0.52) GAAMAPTTP53GLACDK1
SCHEMBL7801293 0.80 PTK2 (0.48) GAAMAPTTP53GLAALDH1A1
SCHEMBL8780754 0.80 GAA (0.45) GAAMAPTTP53GLACDK1
SCHEMBL8780753 0.80 GAA (0.45) 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-5847140-A Intermediates for the manufacture of herbicidal 1-{ 2-(cyclopropylcarbonyl) Phenyl! Sulfamoyl}-3-(4,6-dialkoxy-2-pyrimidinyl) urea compounds AMERICAN CYANAMID COMPANY (US) 1998-12-08 US disclosed