SCHEMBL1966497

SCHEMBL1966497

CC1(C)CC(=O)N(Cc2ccccc2[N+](=O)[O-])C(=O)C1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.50
GSK3B P49841 8/20 0.48
ALDH1A1 P00352 3/20 0.45
TSHR P16473 1/20 0.45
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
CA2 P00918 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL28663777 0.83 GSK3B (0.53) ACHEGSK3BALDH1A1TSHRCA12
SCHEMBL1965862 0.82 ACHE (0.50) ACHEGSK3BCA12CA9MEN1
SCHEMBL1965256 0.81 ACHE (0.49) ACHEGSK3BALDH1A1TSHRCA12
SCHEMBL1967075 0.80 ACHE (0.60) ACHEGSK3BALDH1A1TSHRCA12
SCHEMBL1964986 0.79 ACHE (0.47) ACHEGSK3BALDH1A1TSHRCA12
SCHEMBL27814819 0.75 ACHE (0.66) ACHEALDH1A1MEN1POLBKMT2A
SCHEMBL7114927 0.75 ACHE (0.56) ACHEGSK3BALDH1A1TSHRCA12
SCHEMBL4913055 0.75 ACHE (0.47) ACHEGSK3BALDH1A1TSHRCA12
SCHEMBL4909147 0.75 ELANE (0.57) ACHEGSK3BALDH1A1TSHRCA12
SCHEMBL514504 0.75 ACHE (0.45) ACHEGSK3BALDH1A1TSHRCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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