SCHEMBL1965862

SCHEMBL1965862

CC1C(=O)N(Cc2ccccc2[N+](=O)[O-])C(=O)CC1(C)C

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.50
GSK3B P49841 12/20 0.46
HTR1A P08908 1/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 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
SCHEMBL1966497 0.82 ACHE (0.50) ACHEGSK3BCA12CA9MEN1
SCHEMBL1964762 0.78 ACHE (0.53) ACHEGSK3BCA12CA9MEN1
SCHEMBL1963661 0.78 ACHE (0.50) ACHEGSK3BCA12CA9MEN1
SCHEMBL1967075 0.77 ACHE (0.60) ACHEGSK3BCA12CA9MEN1
SCHEMBL1963821 0.76 ACHE (0.48) ACHEGSK3BCA12CA9MEN1
SCHEMBL1963519 0.76 ACHE (0.48) ACHECA12CA9MEN1POLB
SCHEMBL28663777 0.74 GSK3B (0.53) ACHEGSK3BCA12CA9MEN1
SCHEMBL4919438 0.72 ACHE (0.51) ACHEGSK3BCA12CA9
SCHEMBL1964986 0.71 ACHE (0.47) ACHEGSK3BCA12CA9MEN1
SCHEMBL1965256 0.70 ACHE (0.49) ACHEGSK3BCA12CA9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102137841-B Ortho-substituted haloalkylsulfonanilide derivative and herbicide NISSAN CHEMICAL IND LTD 2014-05-14 CN disclosed
CN-102137841-A Ortho-substituted haloalkylsulfonanilide derivative and herbicide NISSAN CHEMICAL IND LTD 2011-07-27 CN disclosed
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 EP disclosed