SCHEMBL13815099

SCHEMBL13815099

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

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 9/20 0.48
▸ SUV39H2 Q9H5I1 2/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ LTA4H P09960 1/20 0.45
▸ CHEK1 O14757 1/20 0.44
▸ TERT O14746 1/20 0.42
▸ ROCK2 O75116 2/20 0.42
▸ ROCK1 Q13464 2/20 0.42
▸ LARS1 Q9P2J5 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
SCHEMBL13815084 0.96 SUV39H2 (0.51) AAK1SUV39H2MEN1LMNAKMT2A
SCHEMBL10262460 0.91 ERAP2 (0.43) AAK1SUV39H2MEN1LMNAKMT2A
SCHEMBL10261894 0.91 ERAP2 (0.43) AAK1SUV39H2MEN1LMNAKMT2A
SCHEMBL13815091 0.91 AAK1 (0.48) AAK1SUV39H2LTA4HCHEK1TERT
SCHEMBL21371608 0.89 ERAP2 (0.46) AAK1SUV39H2LTA4HTERT
SCHEMBL19445796 0.89 ERAP2 (0.46) AAK1SUV39H2LTA4HTERT
SCHEMBL19945112 0.89 ERAP2 (0.46) AAK1SUV39H2LTA4HTERT
SCHEMBL21865048 0.88 SUV39H2 (0.45) AAK1SUV39H2MEN1LMNAKMT2A
SCHEMBL21372057 0.88 SUV39H2 (0.45) AAK1SUV39H2MEN1LMNAKMT2A
Delparantag SCHEMBL19445838 0.88 ERAP2 (0.47) 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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