SCHEMBL5792011

SCHEMBL5792011

COC(=O)c1c(Cl)n[nH]c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
CDK1 P06493 1/20 0.44
CYP1A2 P05177 1/20 0.42
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL9513100 0.82 GAA (0.52) GAACDK1CYP1A2MAPTTP53
SCHEMBL5790911 0.81 GAA (0.53) GAACDK1CYP1A2MAPTTP53
SCHEMBL9513089 0.81 CYP1A2 (0.40) GAACDK1CYP1A2MAPTTP53
SCHEMBL6455018 0.80 GAA (0.49) GAACDK1CYP1A2MAPTTP53
SCHEMBL9512705 0.79 GAA (0.48) GAACDK1CYP1A2MAPTTP53
SCHEMBL5633455 0.79 GAA (0.55) GAACDK1CYP1A2MAPTTP53
SCHEMBL55094 0.78 GAA (0.52) GAACDK1CYP1A2MAPTTP53
SCHEMBL3673748 0.76 GAA (0.44) GAACDK1CYP1A2MAPTTP53
SCHEMBL9509345 0.76 TSHR (0.41) CYP1A2MAPTALDH1A1TSHR
Halosulfuron SCHEMBL22721319 0.75 GAA (0.48) GAACDK1CYP1A2MAPTTP53

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
WO-2006009937-A2 NOVEL ESTERS AS USEFUL BROAD SPECTRUM HERBICIDAL COMPOUNDS CORET JOEL MARCEL (US) 2006-01-26 WO claimed