SCHEMBL1963337

SCHEMBL1963337

CC1CC(=O)N(Cc2ccccc2[N+](=O)[O-])C(O)C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.53
P2RX7 Q99572 1/20 0.44
GSK3B P49841 10/20 0.43
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
KDM1A O60341 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL1967075 0.79 ACHE (0.60) ACHEGSK3BALDH1A1POLBCA12
SCHEMBL1964986 0.78 ACHE (0.47) ACHEP2RX7GSK3BALDH1A1LMNA
SCHEMBL1964083 0.75 ACHE (0.66) ACHEGSK3BALDH1A1POLBSIRT2
SCHEMBL1963519 0.74 ACHE (0.48) ACHEP2RX7ALDH1A1LMNAPOLB
SCHEMBL1963821 0.74 ACHE (0.48) ACHEP2RX7GSK3BALDH1A1LMNA
SCHEMBL4918809 0.72 ACHE (0.49) ACHEP2RX7ALDH1A1LMNAPOLB
SCHEMBL515217 0.69 ACHE (0.51) ACHEGSK3BALDH1A1POLBSIRT2
SCHEMBL4918818 0.69 ACHE (0.45) ACHEGSK3BALDH1A1POLBCA12
SCHEMBL4917369 0.69 ACHE (0.45) ACHEALDH1A1LMNAPOLBSIRT2
SCHEMBL28663777 0.68 GSK3B (0.53) ACHEGSK3BALDH1A1POLBCA12

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