SCHEMBL13319568

SCHEMBL13319568

COc1ccc(NC(=O)[C@@H](N)CCCCN)cc1C(C)=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SUV39H2 Q9H5I1 2/20 0.51
▸ LTA4H P09960 1/20 0.49
▸ AAK1 Q2M2I8 8/20 0.47
▸ TERT O14746 3/20 0.47
▸ CHEK1 O14757 1/20 0.43
▸ MMP2 P08253 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ ERAP2 Q6P179 2/20 0.42
▸ LNPEP Q9UIQ6 1/20 0.42
▸ ROCK2 O75116 2/20 0.41
▸ ROCK1 Q13464 2/20 0.41
▸ ERAP1 Q9NZ08 1/20 0.41

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
SCHEMBL13815091 0.96 AAK1 (0.48) SUV39H2LTA4HAAK1TERTCHEK1
SCHEMBL13815084 0.91 SUV39H2 (0.51) SUV39H2LTA4HAAK1TERTCHEK1
SCHEMBL13815099 0.87 AAK1 (0.48) SUV39H2LTA4HAAK1TERTCHEK1
SCHEMBL15317940 0.84 ERAP2 (0.48) SUV39H2LTA4HAAK1TERTMMP2
SCHEMBL13815093 0.84 AAK1 (0.43) AAK1CHEK1ROCK2ROCK1
SCHEMBL12766953 0.83 ERAP2 (0.47) SUV39H2LTA4HAAK1TERTMMP2
SCHEMBL19445695 0.83 SUV39H2 (0.45) SUV39H2LTA4HAAK1TERTCHEK1
SCHEMBL13962658 0.83 ERAP2 (0.47) SUV39H2LTA4HAAK1TERTMMP2
SCHEMBL19445813 0.82 ERAP2 (0.47) SUV39H2LTA4HAAK1TERTMMP2
Delparantag SCHEMBL10267622 0.82 ERAP2 (0.47) SUV39H2LTA4HAAK1TERTMMP2

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
US-7745662-B2 Polycationic compounds and uses thereof POLYMEDIX, INC. (US) 2010-06-29 — — US disclosed
US-7553876-B2 Polycationic compounds and uses thereof POLYMEDIX, INC. (US) 2009-06-30 — — US disclosed
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