SCHEMBL8368651

SCHEMBL8368651

O=C1C=C(NCCCN2CCCC2)C(=O)c2ncc(-c3ccccn3)nc21

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.60
MALT1 Q9UDY8 3/20 0.56
HIF1A Q16665 1/20 0.43
CHRNA7 P36544 1/20 0.41
CFTR P13569 1/20 0.40
HRH3 Q9Y5N1 4/20 0.40
MKNK1 Q9BUB5 1/20 0.38
ACP1 P24666 1/20 0.37
NPY5R Q15761 1/20 0.37
TGFBR1 P36897 1/20 0.37
TGFBR2 P37173 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL8371630 0.89 S100A4 (0.64) S100A4MALT1HIF1ACHRNA7CFTR
SCHEMBL12181932 0.76 S100A4 (1.00) S100A4MALT1HRH3
SCHEMBL8368796 0.74 S100A4 (0.58) S100A4MALT1HRH3MKNK1ACP1
SCHEMBL23406015 0.74 HRH3 (0.47) S100A4HIF1ACHRNA7CFTRHRH3
SCHEMBL29743920 0.74 HRH3 (0.47) S100A4HIF1ACHRNA7CFTRHRH3
SCHEMBL29743857 0.73 HRH3 (0.49) S100A4CHRNA7CFTRHRH3MKNK1
SCHEMBL23405936 0.73 HRH3 (0.49) S100A4CHRNA7CFTRHRH3MKNK1
SCHEMBL23405983 0.72 CHRNA7 (0.51) S100A4HIF1ACHRNA7CFTRHRH3
SCHEMBL29743798 0.72 CHRNA7 (0.51) S100A4HIF1ACHRNA7CFTRHRH3
SCHEMBL8371714 0.72 S100A4 (0.59) S100A4MALT1HRH3

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-1999052365-A1 ANTICANCER AGENTS ELI LILLY AND COMPANY (US) 1999-10-21 WO disclosed