SCHEMBL11458102

SCHEMBL11458102

C=[C]CSc1nnc(C)s1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 3/20 0.41
POLB P06746 2/20 0.41
HSD11B1 P28845 3/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL7036708 0.80 GAA (0.55) GAAL3MBTL1MAPTPKMNPC1
SCHEMBL10401915 0.80 GAA (0.50) GAAL3MBTL1MAPTPKMNPC1
SCHEMBL7812310 0.78 GAA (0.52) GAAL3MBTL1MAPTPKMNPC1
SCHEMBL13240158 0.76 GAA (0.59) GAAL3MBTL1MAPTPKMNPC1
SCHEMBL8443575 0.72
SCHEMBL10980579 0.72 MAPT (0.62) GAAL3MBTL1MAPTPKMNPC1
SCHEMBL10977302 0.71 GAA (0.53) GAAL3MBTL1MAPTPKMNPC1
SCHEMBL12232725 0.71 GAA (0.53) GAAL3MBTL1MAPTPKMNPC1
SCHEMBL21303107 0.71 GAA (0.62) GAAL3MBTL1MAPTPKMNPC1
SCHEMBL7810670 0.71 GAA (0.49) GAAL3MBTL1MAPTPKMNPC1

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-4233216-A INTERMEDIATES FOR OXADETHIACEPHALOSPORINS SHIONOGI & CO., LTD. (JP) 1980-11-11 US disclosed