SCHEMBL9517199

SCHEMBL9517199

CCS(=O)(=O)c1nc2sccn2c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
CDK1 P06493 1/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
CYP1A2 P05177 1/20 0.38
HTR6 P50406 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL9362909 0.86 GAA (0.51) GAACDK1TP53CYP1A2HTR6
SCHEMBL9517338 0.85 GAA (0.50) GAACDK1CYP1A2HTR6KDM4E
Sulfosulfuron SCHEMBL66574 0.82 GAA (0.49) GAACDK1TP53GLAMAPT
SCHEMBL3500776 0.79 GAA (0.48) GAACDK1TP53GLAMAPT
Sulfosulfuron SCHEMBL8476425 0.79 GAA (0.46) GAACDK1TP53GLAMAPT
SCHEMBL5633436 0.72 GAA (0.52) GAACDK1TP53GLAMAPT
SCHEMBL8461112 0.72 CDK2 (0.40) GAACDK1TP53GLAMAPT
SCHEMBL5633964 0.70 GAA (0.52) GAACDK1TP53GLAMAPT
SCHEMBL8478141 0.70 GAA (0.49) GAACDK1TP53GLAMAPT
SCHEMBL9022105 0.70 GAA (0.47) GAACDK1TP53GLAMAPT

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-0238070-B1 Sulfonylurea compounds, their production and herbicidal use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-12-29 EP claimed
US-5017212-A For rice paddies TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-05-21 US claimed