SCHEMBL11043336

SCHEMBL11043336

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2cccc3cccc(Cl)c23)n1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
CDK1 P06493 1/20 0.49
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
MAPT P10636 1/20 0.43
CYP1A2 P05177 1/20 0.43
GHSR Q92847 1/20 0.39

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
SCHEMBL11047131 0.94 GAA (0.49) GAACDK1KDM4ENPC1ALDH1A1
SCHEMBL11042144 0.88 ALDH1A1 (0.53) GAACDK1KDM4ENPC1ALDH1A1
SCHEMBL11038838 0.85 KDM4E (0.47) GAAKDM4ENPC1ALDH1A1
SCHEMBL10616134 0.84 GAA (0.67) GAACDK1KDM4ENPC1ALDH1A1
SCHEMBL11040368 0.84 ALDH1A1 (0.50) GAAKDM4ENPC1ALDH1A1MAPT
SCHEMBL11043929 0.84 KDM4E (0.48) KDM4ENPC1ALDH1A1MAPT
SCHEMBL11043195 0.83 GAA (0.54) GAACDK1TP53GLAMAPT
SCHEMBL11564241 0.83 GAA (0.59) GAACDK1TP53GLAMAPT
SCHEMBL11265505 0.82 KDM4E (0.55) GAACDK1KDM4ENPC1ALDH1A1
SCHEMBL10681053 0.81 GAA (0.57) GAACDK1KDM4ENPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4370479-A PLANT GROWTH REGULATOR E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-01-25 US claimed
EP-0030141-A2 Herbicidal ureas and isoureas, preparation, compositions and use thereof, intermediates therefor and preparation of said intermediates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-06-10 EP claimed
US-4460404-A HERBICIDES PLANT GROWTH REGULATORS E. I. DUPONT DE NEMOURS AND COMPANY (US) 1984-07-17 US disclosed
US-4452627-A HERBICIDE, PLANT GROWTH REGULATOR E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-06-05 US disclosed
US-4370479-A PLANT GROWTH REGULATOR E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-01-25 US disclosed
EP-0030141-A2 Herbicidal ureas and isoureas, preparation, compositions and use thereof, intermediates therefor and preparation of said intermediates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-06-10 EP disclosed