SCHEMBL13815091

SCHEMBL13815091

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

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 12/20 0.48
▸ SUV39H2 Q9H5I1 2/20 0.47
▸ LTA4H P09960 1/20 0.45
▸ CHEK1 O14757 1/20 0.44
▸ TERT O14746 2/20 0.42
▸ ROCK2 O75116 2/20 0.42
▸ ROCK1 Q13464 2/20 0.42

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
SCHEMBL13319568 0.96 SUV39H2 (0.51) AAK1SUV39H2LTA4HCHEK1TERT
SCHEMBL13815099 0.91 AAK1 (0.48) AAK1SUV39H2LTA4HCHEK1TERT
SCHEMBL13815084 0.87 SUV39H2 (0.51) AAK1SUV39H2LTA4HCHEK1TERT
SCHEMBL13815093 0.85 AAK1 (0.43) AAK1CHEK1ROCK2ROCK1
SCHEMBL10261894 0.82 ERAP2 (0.43) AAK1SUV39H2LTA4H
SCHEMBL10262460 0.82 ERAP2 (0.43) AAK1SUV39H2LTA4H
SCHEMBL15317940 0.81 ERAP2 (0.48) AAK1SUV39H2LTA4HTERT
SCHEMBL19945112 0.81 ERAP2 (0.46) AAK1SUV39H2LTA4HTERT
SCHEMBL21371608 0.81 ERAP2 (0.46) AAK1SUV39H2LTA4HTERT
SCHEMBL19445796 0.81 ERAP2 (0.46) AAK1SUV39H2LTA4HTERT

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