SCHEMBL8522467

SCHEMBL8522467

CN1CCN(C2=CC[CH]C=C2[N+](=O)[O-])CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 6/20 0.44
LMNA P02545 2/20 0.40
MAPT P10636 5/20 0.38
HRH4 Q9H3N8 1/20 0.38
ALDH1A1 P00352 4/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL2481854 0.68 CHKA (0.37) MAPTHRH4ALDH1A1
SCHEMBL4625323 0.66 DRD2 (0.38) MAPTHRH4ALDH1A1
SCHEMBL4777740 0.65 POLB (0.32)
SCHEMBL4808079 0.65 ALDH1A1 (0.32) ALDH1A1
Ethane SCHEMBL27638639 0.64
SCHEMBL21275246 0.61 SIRT6 (0.69) SIRT6LMNAMAPTALDH1A1MAPK1
SCHEMBL2016171 0.61 SIRT6 (0.69) SIRT6LMNAMAPTALDH1A1MAPK1
SCHEMBL447471 0.61 SIRT6 (1.00) SIRT6LMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL15557229 0.61 GAA (0.32)
SCHEMBL30912575 0.59 SIRT6 (0.59) SIRT6LMNAMAPTALDH1A1MAPK1

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-0934937-A1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP disclosed