SCHEMBL17564313

SCHEMBL17564313

CCCCOC(=O)CCSc1nc(N)nc(NCCNc2nc(NCCN)nc(SCCC(=O)O)n2)n1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ MAPT P10636 5/20 0.34
▸ GAA P10253 4/20 0.34
▸ LMNA P02545 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ HPGD P15428 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ PLA2G4B P0C869 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32
▸ TLR8 Q9NR97 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TOP2A P11388 1/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL18466784 0.96 SMN1; SMN2 (0.36) SMN1; SMN2MAPTGAALMNAALDH1A1
SCHEMBL17564309 0.85 KDM4E (0.38) SMN1; SMN2GAALMNAALDH1A1KDM4E
SCHEMBL17577112 0.85 KDM4E (0.38) SMN1; SMN2GAALMNAALDH1A1KDM4E
SCHEMBL18466735 0.85 KDM4E (0.38) SMN1; SMN2GAALMNAALDH1A1KDM4E
SCHEMBL18467398 0.83 LMNA (0.46) MAPTGAALMNAALDH1A1GLA
SCHEMBL17563722 0.83 KDM4E (0.40) SMN1; SMN2GAAALDH1A1KDM4EL3MBTL1
SCHEMBL18757519 0.80 KDM4E (0.42) SMN1; SMN2MAPTGAALMNAALDH1A1
SCHEMBL17564357 0.79 SMN1; SMN2 (0.36) SMN1; SMN2MAPTGAALMNAALDH1A1
SCHEMBL17563721 0.76 LMNA (0.42) MAPTGAALMNAALDH1A1KDM4E
SCHEMBL18679867 0.76 KDM4E (0.43) SMN1; SMN2LMNAALDH1A1KDM4EL3MBTL1

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-2016036847-A1 SYNTHETIC POLYMERS AND METHODS OF MAKING AND USING THE SAME BATTELLE MEMORIAL INSTITUTE (US) 2016-03-10 — — WO disclosed
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