SCHEMBL1558028

SCHEMBL1558028

O=CCN1CCC(n2cc([N+](=O)[O-])cn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.40
DRD4 P21917 1/20 0.40
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ACHE P22303 3/20 0.32
F2 P00734 1/20 0.32
PLAU P00749 1/20 0.32
ELANE P08246 1/20 0.32
BCHE P06276 1/20 0.32
BACE1 P56817 1/20 0.32
MAP3K7 O43318 1/20 0.32
TAB1 Q15750 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL22648279 0.84 SIGMAR1 (0.47) SIGMAR1DRD4ALDH1A1L3MBTL1ACHE
SCHEMBL22648384 0.84 ALDH1A1 (0.40) SIGMAR1DRD4ALDH1A1L3MBTL1ACHE
SCHEMBL28425717 0.82 F2 (0.37) SIGMAR1DRD4ALDH1A1L3MBTL1ACHE
SCHEMBL16513259 0.82 DYRK1A (0.40) SIGMAR1DRD4ALDH1A1L3MBTL1ACHE
SCHEMBL174612 0.81 F2 (0.41) SIGMAR1DRD4ALDH1A1L3MBTL1ACHE
SCHEMBL24222179 0.81 SIGMAR1 (0.38) SIGMAR1DRD4ALDH1A1L3MBTL1ACHE
SCHEMBL30955784 0.80 L3MBTL1 (0.35) SIGMAR1DRD4ALDH1A1L3MBTL1ACHE
SCHEMBL1558099 0.79 SIRT6 (0.40) ALDH1A1L3MBTL1ACHEMAP3K7TAB1
SCHEMBL16196214 0.79 MEN1 (0.42) SIGMAR1DRD4ALDH1A1L3MBTL1ACHE
SCHEMBL21526529 0.79 FGFR1 (0.41) SIGMAR1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303861-A1 PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2011-04-06 EP disclosed
WO-2009153589-A1 PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2009-12-23 WO disclosed