SCHEMBL28546346

SCHEMBL28546346

O=CN1CCC(n2cc([N+](=O)[O-])cn2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.35
PLAU P00749 2/20 0.35
ELANE P08246 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.33
GAA P10253 2/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM5A P29375 1/20 0.31
MAP3K7 O43318 1/20 0.30
TAB1 Q15750 1/20 0.30
DRD4 P21917 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30

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
SCHEMBL28425717 0.92 F2 (0.37) F2PLAUELANEL3MBTL1ALDH1A1
SCHEMBL9952208 0.81 ALDH1A1 (0.36) F2PLAUELANEL3MBTL1ALDH1A1
SCHEMBL31361661 0.81 ALDH1A1 (0.36) F2PLAUELANEL3MBTL1ALDH1A1
SCHEMBL174612 0.79 F2 (0.41) F2PLAUELANEL3MBTL1ALDH1A1
SCHEMBL1558028 0.77 SIGMAR1 (0.40) F2PLAUELANEL3MBTL1ALDH1A1
SCHEMBL20476042 0.77 F2 (0.40) F2PLAUELANEL3MBTL1ALDH1A1
SCHEMBL19513971 0.77 F2 (0.40) F2PLAUELANEL3MBTL1ALDH1A1
SCHEMBL16196214 0.77 MEN1 (0.42) F2PLAUELANEL3MBTL1ALDH1A1
SCHEMBL1558099 0.77 SIRT6 (0.40) L3MBTL1ALDH1A1MAPTMAP3K7TAB1
SCHEMBL20476139 0.76 LRRK2 (0.34) F2PLAUELANEL3MBTL1ALDH1A1

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
CN-107912040-B Pyrrolidine amide compounds as histone demethylase inhibitors 基因泰克公司 2021-04-06 CN disclosed