SCHEMBL3346906

SCHEMBL3346906

O=CCN1CCN(c2ccc([N+](=O)[O-])c(CO)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 4/20 0.46
MAPT P10636 12/20 0.44
ALDH1A1 P00352 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KMT2A Q03164 1/20 0.43
THRB P10828 1/20 0.43
PKM P14618 1/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 4/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 3/20 0.42
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 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
SCHEMBL3349619 0.84 SIRT6 (0.47) SIRT6MAPTALDH1A1CYP1A2CYP2C19
SCHEMBL15994494 0.82 MAPT (0.46) SIRT6MAPTALDH1A1CYP1A2CYP2C19
SCHEMBL22634636 0.82 SIRT6 (0.68) SIRT6MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL18921192 0.81 HPGD (0.62) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL3346858 0.79 GAA (0.43) SIRT6MAPTALDH1A1L3MBTL1KMT2A
SCHEMBL5054712 0.79 MAPT (0.68) MAPTALDH1A1KMT2APKMLMNA
SCHEMBL15994800 0.79 SIRT6 (0.69) SIRT6MAPTALDH1A1CYP1A2CYP2C19
SCHEMBL3314691 0.79 MAPT (0.53) SIRT6MAPTALDH1A1KMT2ALMNA
SCHEMBL3632512 0.76 CTSK (0.60) SIRT6MAPTALDH1A1LMNAHTR1A
SCHEMBL3346276 0.75 MAPT (0.55) SIRT6MAPTALDH1A1L3MBTL1KMT2A

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
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed