SCHEMBL11041517

SCHEMBL11041517

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(Cl)ccc3ccccc23)n1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
GLA P06280 1/20 0.45
CDK1 P06493 1/20 0.44
CYP1A2 P05177 1/20 0.42
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 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
SCHEMBL11042138 0.94 GAA (0.48) GAAMAPTTP53GLACDK1
SCHEMBL11045417 0.88 ALDH1A1 (0.45) GAAMAPTTP53ALDH1A1KDM4E
SCHEMBL11276167 0.87 GAA (0.40) GAAMAPTTP53GLACDK1
SCHEMBL11045546 0.86 GAA (0.54) GAAMAPTTP53GLACDK1
SCHEMBL11045687 0.85 GAA (0.44) GAAMAPTKMT2AALDH1A1KDM4E
SCHEMBL10937189 0.84 GAA (0.52) GAAMAPTTP53GLACDK1
SCHEMBL11043115 0.84 ALDH1A1 (0.43) GAAMAPTTP53KMT2AALDH1A1
SCHEMBL11042105 0.84 ALDH1A1 (0.41) GAAMAPTKMT2AALDH1A1KDM4E
SCHEMBL11045944 0.83 CDK1 (0.59) GAAMAPTTP53GLACDK1
SCHEMBL11564241 0.82 GAA (0.59) GAAMAPTTP53GLACDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0030141-B1 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) 1984-06-20 EP claimed
US-4452627-A HERBICIDE, PLANT GROWTH REGULATOR E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-06-05 US claimed
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
EP-0030141-B1 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) 1984-06-20 EP 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