SCHEMBL11045802

SCHEMBL11045802

COc1cc(C)nc(NC(=O)NS(=O)(=O)c2cccc3cccc([N+](=O)[O-])c23)n1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.47
CYP2C9 P11712 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CDK1 P06493 1/20 0.42
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RELA Q04206 1/20 0.40
AGTR1 P30556 1/20 0.40

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
SCHEMBL11043195 0.94 GAA (0.54) GAAMEN1CYP2C9KMT2ACDK1
SCHEMBL11043153 0.91 MEN1 (0.53) GAAMEN1CYP2C9KMT2ASMN1; SMN2
SCHEMBL10909263 0.90 GAA (0.52) GAAMEN1CYP2C9KMT2ATSHR
SCHEMBL11045779 0.85 KDM4E (0.41) GAAMEN1CYP2C9KMT2APOLB
SCHEMBL11047131 0.84 GAA (0.49) GAAKMT2ATSHRSMN1; SMN2CDK1
SCHEMBL11562116 0.84 GAA (0.58) GAAKMT2ACDK1L3MBTL1
SCHEMBL11045678 0.84 MEN1 (0.41) MEN1CYP2C9KMT2ASMN1; SMN2POLB
SCHEMBL11042813 0.84 KDM4E (0.39) GAAMEN1CYP2C9KMT2AL3MBTL1
SCHEMBL11112387 0.81 POLB (0.54) GAAMEN1CYP2C9KMT2ASMN1; SMN2
SCHEMBL11109018 0.80 GAA (0.51) GAAMEN1KMT2ASMN1; SMN2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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