SCHEMBL5712397

SCHEMBL5712397

N#Cc1ccc(NCCCCCCCCCNc2ccc(C#N)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 6/20 0.46
F2 P00734 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
TMPRSS6 Q8IU80 2/20 0.46
ST14 Q9Y5Y6 2/20 0.46
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
LOXL2 Q9Y4K0 2/20 0.42
GAA P10253 2/20 0.42
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
CYP1B1 Q16678 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
MGLL Q99685 1/20 0.41
CYP2A6 P11509 1/20 0.40

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
SCHEMBL5712390 1.00 PRSS1 (0.46) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL6418566 1.00 PRSS1 (0.46) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL5516545 0.98 ALDH1A1 (0.44) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11935021 0.91 KAT2B (0.43) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11177848 0.91 ALDH1A1 (0.49) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL23961158 0.91 ALDH1A1 (0.49) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11476246 0.91 MGLL (0.52) LOXL2GAAABCG2MGLLCYP2A6
SCHEMBL11475163 0.91 MGLL (0.52) LOXL2GAAABCG2MGLLCYP2A6
SCHEMBL5283982 0.91 MGLL (0.52) LOXL2GAAABCG2MGLLCYP2A6
SCHEMBL11465958 0.91 MGLL (0.52) LOXL2GAAABCG2MGLLCYP2A6

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-1715857-A1 AMIDINE DERIVATIVES FOR TREATING AMYLOIDOSIS Neurochem (International) Limited (CH) 2006-11-02 EP disclosed
WO-2005079780-A1 AMIDINE DERIVATIVES FOR TREATING AMYLOIDOSIS NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2005-09-01 WO disclosed