SCHEMBL6218463

SCHEMBL6218463

OC1(c2ccccc2)CCN(CC(Oc2ccc(-c3nc4cc(Br)cnc4[nH]3)cc2)N(CCOc2ccc(-c3nc4cc(Br)cnc4[nH]3)cc2)C2CCCC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.34
CHEK2 O96017 6/20 0.34
ACHE P22303 4/20 0.33
TBK1 Q9UHD2 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
DRD3 P35462 2/20 0.31
HDAC6 Q9UBN7 1/20 0.31
DRD2 P14416 1/20 0.31
IKBKE Q14164 1/20 0.31

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
SCHEMBL4842188 0.81 LTA4H (0.51) LTA4HCHEK2ACHETBK1MEN1
SCHEMBL4838238 0.80 ABCB1 (0.45) ALDH1A1
SCHEMBL6218461 0.79 TBK1 (0.44) LTA4HCHEK2ACHETBK1MEN1
Trifluoroacetic Acid SCHEMBL4842767 0.77 LTA4H (0.46) LTA4HCHEK2ACHETBK1MEN1
Trifluoroacetic Acid SCHEMBL4845497 0.76 ABCB1 (0.44) ALDH1A1
SCHEMBL4844406 0.68 ACHE (0.61) LTA4HCHEK2ACHETBK1IKBKE
SCHEMBL4839497 0.68 NPSR1 (0.54) ALDH1A1KMT2A
SCHEMBL4840409 0.68 ACHE (0.48) LTA4HCHEK2ACHETBK1IKBKE
SCHEMBL5259203 0.68 TSHR (0.49) ACHE
SCHEMBL6218704 0.68 ACHE (0.40) LTA4HCHEK2ACHETBK1IKBKE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539759-A1 USE OF AND SOME NOVEL IMIDAZOPYRIDINES AstraZeneca AB (SE) 2005-06-15 EP disclosed
WO-2004016611-A1 USE OF AND SOME NOVEL IMIDAZOPYRIDINES ASTRAZENECA AB (SE) 2004-02-26 WO disclosed