SCHEMBL4953531

SCHEMBL4953531

O=C(NC1CCCCn2c1nc(-c1ccncn1)cc2=O)c1ccc(N2CCCN(C(=O)O)CC2)nc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FASN P49327 5/20 0.39
HPGDS O60760 4/20 0.39
GSK3B P49841 5/20 0.37
USP30 Q70CQ3 2/20 0.36
HDAC2 Q92769 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2D6 P10635 1/20 0.35
MGLL Q99685 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL4381749 0.87 TBK1 (0.45) FASNHPGDSGSK3BUSP30HRH3
SCHEMBL4378670 0.81 TBK1 (0.50) FASNHPGDSUSP30HDAC2HRH3
SCHEMBL4381747 0.80 KMT2A (0.40) GSK3BCYP2D6
SCHEMBL4378741 0.80 ALDH1A1 (0.44) GSK3BALDH1A1CYP2D6
SCHEMBL2066076 0.79 GSK3B (0.47) GSK3BCYP2D6
SCHEMBL4377805 0.78 ALDH1A1 (0.45) GSK3BALDH1A1SMN1; SMN2
SCHEMBL4383564 0.77 SCN9A (0.42) HPGDSGSK3B
SCHEMBL4768777 0.76 GSK3B (0.38) GSK3BCYP2D6
SCHEMBL2065426 0.76 DRD4 (0.42) GSK3B
SCHEMBL4389917 0.75 HPGDS (0.39) HPGDSGSK3BALDH1A1HPGDSMN1; SMN2

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-1939187-A1 Substituted heteroaryl pyridopyrimidone derivatives Sanofi-Aventis (FR) 2008-07-02 EP disclosed