SCHEMBL1964083

SCHEMBL1964083

CC1CCN(Cc2ccccc2[N+](=O)[O-])C(=O)C1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.66
GSK3B P49841 6/20 0.45
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
BCHE P06276 1/20 0.43
PER2 O15055 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL2582291 0.81 ACHE (0.62) ACHESIRT2SIRT1KMT2AMEN1
SCHEMBL1967075 0.81 ACHE (0.60) ACHEGSK3BKMT2AMEN1POLB
SCHEMBL13950136 0.80 ACHE (0.59) ACHEGSK3BKMT2AMEN1ALDH1A1
SCHEMBL1964382 0.79 PER2 (0.46) ACHESIRT2SIRT1KMT2AMEN1
SCHEMBL515217 0.79 ACHE (0.51) ACHEGSK3BSIRT2SIRT1KMT2A
SCHEMBL26102230 0.76 TDP1 (0.48) KMT2AMEN1KDM4EALDH1A1
SCHEMBL1963337 0.75 ACHE (0.53) ACHEGSK3BSIRT2SIRT1POLB
SCHEMBL15014611 0.75 ACHE (0.56) ACHEKMT2APOLBALDH1A1PER2
SCHEMBL25740975 0.75 ACHE (0.56) ACHEKMT2APOLBALDH1A1PER2
SCHEMBL25740974 0.75 ACHE (0.56) ACHEKMT2APOLBALDH1A1PER2

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