SCHEMBL9835685

SCHEMBL9835685

CCOc1ccc(C(=O)OC)c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC(F)F)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
CDK1 P06493 1/20 0.47
MAPT P10636 2/20 0.39
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
KAT6A Q92794 1/20 0.35
CYP1A2 P05177 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL9833453 0.93 GAA (0.48) GAACDK1MAPTNPC1ALDH1A1
SCHEMBL10519893 0.88 GAA (0.50) GAACDK1MAPTALDH1A1KDM4E
SCHEMBL9467729 0.84 GAA (0.53) GAACDK1MAPTNPC1TP53
SCHEMBL11039031 0.84 MAPT (0.36) GAACDK1MAPTNPC1ALDH1A1
SCHEMBL9827880 0.83 GAA (0.54) GAACDK1MAPTTP53GLA
SCHEMBL9814932 0.83 ALDH1A1 (0.47) GAACDK1MAPTNPC1ALDH1A1
SCHEMBL10455589 0.82 GAA (0.53) GAACDK1MAPTNPC1ALDH1A1
SCHEMBL29508602 0.81 GAA (0.48) GAACDK1MAPTNPC1
SCHEMBL9140753 0.81 GAA (0.48) GAACDK1MAPTNPC1
SCHEMBL118690 0.81 GAA (0.48) GAACDK1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0162723-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-05-29 EP disclosed
US-4877442-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-10-31 US disclosed