SCHEMBL9022246

SCHEMBL9022246

COC(=O)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)ccn1C

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
CDK1 P06493 1/20 0.49
CYP1A2 P05177 1/20 0.43
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL9077435 0.89 GAA (0.56) GAACDK1CYP1A2MAPTTP53
SCHEMBL9021744 0.82 GAA (0.53) GAACDK1CYP1A2MAPTTP53
SCHEMBL10616134 0.80 GAA (0.67) GAACDK1CYP1A2MAPTTP53
SCHEMBL9021773 0.79 ALDH1A1 (0.49) GAAMAPTTP53KDM4EALDH1A1
SCHEMBL1405765 0.78 GAA (0.59) GAACDK1CYP1A2MAPTTP53
SCHEMBL9022081 0.78 ALDH1A1 (0.48) GAAMAPTTP53KDM4EALDH1A1
SCHEMBL9040065 0.78 GAA (0.56) GAACDK1CYP1A2MAPTTP53
SCHEMBL8106622 0.77 GAA (0.58) GAACDK1CYP1A2MAPTTP53
SCHEMBL10753890 0.76 GAA (0.57) GAACDK1CYP1A2MAPTTP53
SCHEMBL10752205 0.76 GAA (0.57) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0546082-B1 HERBICIDAL PYRROLESULFONYLUREAS DU PONT (US) 1996-12-18 EP disclosed
US-5585328-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-12-17 US disclosed
US-5472933-A Plant growth regulators E. I. DU PONT DE NEMOURS AND COMPANY (US) 1995-12-05 US disclosed
WO-1992004319-A1 HERBICIDAL PYRROLESULFONYLUREAS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-19 WO disclosed