SCHEMBL1964986

SCHEMBL1964986

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.47
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
CA2 P00918 1/20 0.42
GSK3B P49841 3/20 0.41
KMT2A Q03164 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
P2RX7 Q99572 1/20 0.40
ALDH1A1 P00352 5/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 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
SCHEMBL1963821 0.81 ACHE (0.48) ACHECA12CA9CA2GSK3B
SCHEMBL1963519 0.81 ACHE (0.48) ACHECA12CA9CA2KMT2A
SCHEMBL1966497 0.79 ACHE (0.50) ACHECA12CA9CA2GSK3B
SCHEMBL1963337 0.78 ACHE (0.53) ACHECA12CA9GSK3BSIRT2
SCHEMBL28788210 0.78 ACHE (0.50) ACHECA12CA9KMT2ASIRT2
SCHEMBL1965256 0.75 ACHE (0.49) ACHECA12CA9CA2GSK3B
SCHEMBL4918818 0.74 ACHE (0.45) ACHECA12CA9CA2GSK3B
SCHEMBL4917369 0.74 ACHE (0.45) ACHECA12CA9CA2KMT2A
SCHEMBL1963661 0.71 ACHE (0.50) ACHECA12CA9CA2GSK3B
SCHEMBL1965862 0.71 ACHE (0.50) ACHECA12CA9GSK3BKMT2A

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