SCHEMBL14505239

SCHEMBL14505239

COc1cccc(O)c1C(=O)Nc1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
GFER P55789 2/20 0.60
GAA P10253 2/20 0.58
PTGS2 P35354 4/20 0.54
NPSR1 Q6W5P4 1/20 0.49
CA12 O43570 4/20 0.48
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA9 Q16790 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 1/20 0.48
AHR P35869 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 3/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48

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
SCHEMBL14505245 0.90 MAPT (0.50) MAPTGFERGAAPTGS2NPSR1
SCHEMBL14505221 0.87 PNLIP (0.49) MAPTGFERGAAPTGS2NPSR1
SCHEMBL14504906 0.86 MAPT (0.56) MAPTGFERGAAPTGS2NPSR1
SCHEMBL14503546 0.85 MAPT (0.54) MAPTGFERGAAPTGS2NPSR1
SCHEMBL5387678 0.85 GAA (0.44) MAPTGFERGAAPTGS2SMN1; SMN2
SCHEMBL5387702 0.85 GAA (0.44) MAPTGFERGAAPTGS2SMN1; SMN2
SCHEMBL14503834 0.80 PTGS2 (0.56) MAPTGAAPTGS2NPSR1CA12
SCHEMBL14504902 0.80 NPSR1 (0.60) MAPTGAAPTGS2NPSR1CA12
SCHEMBL14504774 0.80 NPSR1 (0.54) MAPTGAAPTGS2NPSR1CA12
SCHEMBL14505063 0.79 PTGS2 (0.55) MAPTGFERGAAPTGS2NPSR1

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-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed