SCHEMBL6696938

SCHEMBL6696938

C=CCc1cc(NCCCCC)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.43
PRSS1 P07477 9/20 0.37
F2 P00734 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
TMPRSS6 Q8IU80 2/20 0.36
ST14 Q9Y5Y6 2/20 0.36
KCNH3 Q9ULD8 1/20 0.36
BACE1 P56817 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ADRA2A P08913 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL6312333 0.81 MEN1 (0.35) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL5134041 0.78 GAA (0.39) ABL1ALDH1A1ADRA2ACNR2
SCHEMBL29578255 0.77 ABL1 (0.55) ABL1PRSS1F2PRSS2PRSS3
SCHEMBL10616521 0.77 ABL1 (0.46) ABL1KCNH3BACE1ALDH1A1ADRA2A
SCHEMBL11565013 0.75 ABL1 (0.43) ABL1PRSS1F2PRSS2PRSS3
SCHEMBL205604 0.74 ABL1 (0.56) ABL1PRSS1F2PRSS2PRSS3
SCHEMBL10406890 0.74 ABL1 (0.56) ABL1PRSS1F2PRSS2PRSS3
SCHEMBL7132126 0.74 ABL1 (0.49) ABL1PRSS1KCNH3BACE1ALDH1A1
SCHEMBL7951728 0.73 ABL1 (0.51) ABL1PRSS1F2PRSS2PRSS3
SCHEMBL5500355 0.72 ALDH1A1 (0.53) ABL1PRSS1F2PRSS2PRSS3

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-2004039875-A1 METHOD OF RECYCLING OF COMMINGLED PLASTICS WASTE TO TOUGH THERMOPLASTIC MATERIALS Ústav Makromolekulární Chemie Akademie Ved Ceské Republiky (CZ) 2004-05-13 WO disclosed