SCHEMBL5014069

SCHEMBL5014069

CN(C)c1ccncc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 12/20 0.49
KDM6B O15054 5/20 0.48
ALDH1A1 P00352 5/20 0.48
KDM4D Q6B0I6 3/20 0.48
KDM4E B2RXH2 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPT P10636 2/20 0.48
KDM4A O75164 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
THRB P10828 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SIRT3 Q9NTG7 1/20 0.43
GAA P10253 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.40
NAPRT Q6XQN6 1/20 0.39
APP P05067 1/20 0.38

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
SCHEMBL17746099 0.98 KDM4C (0.47) KDM4CKDM6BALDH1A1KDM4DKDM4E
SCHEMBL28188823 0.85 KDM4C (0.53) KDM4CKDM6BALDH1A1KDM4DKDM4E
SCHEMBL2770960 0.85 SIRT3 (0.61) KDM4CKDM6BALDH1A1KDM4DKDM4E
SCHEMBL27712937 0.84 KDM4C (0.46) KDM4CKDM6BALDH1A1KDM4DKDM4E
Hydrochloric Acid SCHEMBL15973577 0.83 KDM4C (0.52) KDM4CKDM6BALDH1A1KDM4DKDM4E
SCHEMBL27713021 0.83 TDP1 (0.42) KDM4CKDM6BALDH1A1KDM4DKDM4E
SCHEMBL7393208 0.82 TDP1 (0.39) KDM4CKDM6BALDH1A1KDM4DKDM4E
Potassium Ion SCHEMBL17746100 0.81 TDP1 (0.41) KDM4CKDM6BALDH1A1KDM4DKDM4E
SCHEMBL3451540 0.79 SIRT3 (0.39) ALDH1A1TDP1MAPTSIRT3GAA
SCHEMBL28499412 0.79 TDP1 (0.39) KDM4CKDM6BALDH1A1KDM4DKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904474-A1 NEW PYRIDINE ANALOGUES AstraZeneca AB (SE) 2008-04-02 EP claimed
WO-2007008140-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2007-01-18 WO claimed
EP-1904474-A1 NEW PYRIDINE ANALOGUES AstraZeneca AB (SE) 2008-04-02 EP disclosed
CN-101073781-A 4-dimethy-pyridine organic molecular-catalyst containing dinaphthalene chiral functional based and its production UNIV TIANJIN (CN) 2007-11-21 CN disclosed
WO-2007008140-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2007-01-18 WO disclosed