SCHEMBL11564241

SCHEMBL11564241

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2cccc3ccccc23)n1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
CDK1 P06493 1/20 0.52
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
GLA P06280 1/20 0.48
CYP1A2 P05177 1/20 0.46
EDNRA P25101 1/20 0.45
NLRP3 Q96P20 1/20 0.44
KMT2A Q03164 1/20 0.44
P4HTM Q9NXG6 1/20 0.43

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
SCHEMBL10616134 0.90 GAA (0.67) GAACDK1MAPTTP53GLA
SCHEMBL11639470 0.87 KDM4E (0.48) GAAMAPTEDNRANLRP3P4HTM
SCHEMBL10884559 0.85 GAA (0.61) GAACDK1MAPTTP53GLA
SCHEMBL11124125 0.85 GAA (0.58) GAACDK1MAPTTP53GLA
SCHEMBL10339438 0.84 GAA (0.60) GAACDK1MAPTTP53GLA
SCHEMBL6942887 0.84 GAA (0.60) GAACDK1MAPTTP53GLA
SCHEMBL10616100 0.84 GAA (0.60) GAACDK1MAPTTP53GLA
SCHEMBL9826164 0.83 GAA (0.59) GAACDK1MAPTTP53GLA
SCHEMBL10469643 0.83 GAA (0.59) GAACDK1MAPTTP53GLA
SCHEMBL10753795 0.83 GAA (0.59) GAACDK1MAPTTP53GLA

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-4169719-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND CO. (US) 1979-10-02 US disclosed