SCHEMBL1965256

SCHEMBL1965256

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.49
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
GSK3B P49841 3/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
HPGD P15428 1/20 0.41
DPP4 P27487 1/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
TSHR P16473 1/20 0.41
CA2 P00918 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL1966497 0.81 ACHE (0.50) ACHEALDH1A1KDM4EMEN1POLB
SCHEMBL27814819 0.80 ACHE (0.66) ACHEALDH1A1KDM4EMEN1POLB
SCHEMBL1963377 0.79 GRM5 (0.40) MEN1KMT2ASIRT2SIRT1SMN1; SMN2
SCHEMBL514504 0.79 ACHE (0.45) ACHEALDH1A1KDM4EMEN1POLB
SCHEMBL1964762 0.78 ACHE (0.53) ACHEALDH1A1KDM4EMEN1POLB
SCHEMBL1963661 0.78 ACHE (0.50) ACHEALDH1A1KDM4EMEN1POLB
SCHEMBL1964986 0.75 ACHE (0.47) ACHEALDH1A1KDM4EMEN1POLB
SCHEMBL1964083 0.74 ACHE (0.66) ACHEALDH1A1KDM4EMEN1POLB
SCHEMBL514404 0.74 ACHE (0.48) ACHEALDH1A1KDM4EMEN1POLB
SCHEMBL28782635 0.74 ACHE (0.48) ACHEALDH1A1KDM4EMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 EP disclosed