SCHEMBL11100249

SCHEMBL11100249

COC(=O)c1cscc1S(=O)(=O)NC(=O)Nc1nc(C)cc(OC)n1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
CDK1 P06493 1/20 0.46
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
HIF1A Q16665 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 1/20 0.39
ALOX15 P16050 1/20 0.37

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
SCHEMBL11100011 0.93 GAA (0.55) GAACDK1ALDH1A1MAPTCYP1A2
SCHEMBL11100645 0.92 GAA (0.44) GAACDK1ALDH1A1LMNAMAPT
SCHEMBL11100056 0.92 GAA (0.48) GAACDK1TSHRSMN1; SMN2ALDH1A1
SCHEMBL10498570 0.89 GAA (0.40) GAACDK1TSHRSMN1; SMN2ALDH1A1
SCHEMBL10498343 0.86 GAA (0.50) GAACDK1ALDH1A1MAPTCYP1A2
SCHEMBL11100017 0.84 GAA (0.55) GAACDK1TSHRSMN1; SMN2ALDH1A1
SCHEMBL11104340 0.84 GAA (0.38) GAACDK1ALDH1A1MAPT
SCHEMBL9419172 0.84 GAA (0.52) GAACDK1TSHRSMN1; SMN2MAPT
SCHEMBL9662388 0.83 GAA (0.47) GAACDK1TSHRSMN1; SMN2ALDH1A1
SCHEMBL11101777 0.83 GAA (0.40) GAACDK1SMN1; SMN2ALDH1A1MAPT

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-0030142-B1 HERBICIDAL UREAS, PREPARATION, COMPOSITIONS AND USE THEREOF E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-12-05 EP claimed
EP-0030142-A2 Herbicidal ureas, preparation, compositions and use thereof E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-06-10 EP claimed
EP-0030142-B1 HERBICIDAL UREAS, PREPARATION, COMPOSITIONS AND USE THEREOF E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-12-05 EP disclosed
EP-0030142-A2 Herbicidal ureas, preparation, compositions and use thereof E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-06-10 EP disclosed