SCHEMBL7214640

SCHEMBL7214640

COc1cc(N(C)CCCNc2nc(=O)c3ccccc3[nH]2)c2[nH]cc(Cl)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.43
NQO1 P15559 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
PAX8 Q06710 1/20 0.38
TERT O14746 4/20 0.37
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
CLK4 Q9HAZ1 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
SCHEMBL8216714 0.90 SLC2A1 (0.51) SLC2A1NQO1GSK3AGSK3BPAX8
SCHEMBL7214645 0.82 SLC2A1 (0.61) SLC2A1
Hydrochloric Acid SCHEMBL5919251 0.75 SLC2A1 (0.37) SLC2A1TERTHTR1B
SCHEMBL7209590 0.73 SLC2A1 (0.41) SLC2A1TERTTSHRMEN1KMT2A
SCHEMBL8216716 0.72 SLC2A1 (0.73) SLC2A1
SCHEMBL178861 0.69 SLC2A1 (0.47) SLC2A1
SCHEMBL5381846 0.67 SLC2A1 (0.81) SLC2A1ALDH1A1MEN1KMT2AUSP2
SCHEMBL8218149 0.66 BCHE (0.47) ALDH1A1TSHRMEN1KMT2A
SCHEMBL178859 0.64 MARS1 (0.51) SLC2A1
Hydrochloric Acid SCHEMBL5388598 0.63 SLC2A1 (0.63) SLC2A1ALDH1A1MEN1KMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003500397-A 2003-01-07 JP claimed
WO-2000071524-A1 2-NH-PYRIDONES AND PYRIMIDONES AS MRS INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2000-11-30 WO claimed
WO-2000071524-A1 2-NH-PYRIDONES AND PYRIMIDONES AS MRS INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2000-11-30 WO disclosed