SCHEMBL1963519

SCHEMBL1963519

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.48
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
P2RX7 Q99572 1/20 0.41
CA2 P00918 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
FEN1 P39748 1/20 0.39
ALDH1A1 P00352 5/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL1964986 0.81 ACHE (0.47) ACHECA12CA9P2RX7CA2
SCHEMBL1963821 0.77 ACHE (0.48) ACHECA12CA9P2RX7CA2
SCHEMBL1964762 0.76 ACHE (0.53) ACHECA12CA9CA2SIRT2
SCHEMBL1965862 0.76 ACHE (0.50) ACHECA12CA9MEN1POLB
SCHEMBL1963337 0.74 ACHE (0.53) ACHECA12CA9P2RX7SIRT2
SCHEMBL4918818 0.72 ACHE (0.45) ACHECA12CA9CA2FEN1
SCHEMBL4917369 0.72 ACHE (0.45) ACHECA12CA9CA2SIRT2
SCHEMBL28788210 0.71 ACHE (0.50) ACHECA12CA9SIRT2SIRT1
SCHEMBL4918809 0.71 ACHE (0.49) ACHECA12CA9P2RX7CA2
SCHEMBL1963661 0.69 ACHE (0.50) ACHECA12CA9P2RX7CA2

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