SCHEMBL2352167

SCHEMBL2352167

COc1cccc(C(=O)Nc2ccc(-c3cccc(C(=O)Nc4ccc(N5CCOCC5)cc4)c3)c(C)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.68
NPC1 O15118 6/20 0.68
RAB9A P51151 6/20 0.68
ALDH1A1 P00352 5/20 0.68
SMN1; SMN2 Q16637 5/20 0.68
LMNA P02545 3/20 0.68
PKM P14618 2/20 0.68
QSOX1 O00391 1/20 0.68
TP53 P04637 2/20 0.60
MAPK1 P28482 1/20 0.60
GAA P10253 1/20 0.59
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
ALOX12 P18054 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HTT P42858 1/20 0.55
HSP90AA1 P07900 1/20 0.54
HSP90AB1 P08238 1/20 0.54
RAF1 P04049 2/20 0.54

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
SCHEMBL2353892 0.95 RAB9A (0.63) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2354088 0.88 MAPT (0.59) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1140174 0.87 RAF1 (0.65) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2349159 0.86 MAPT (0.66) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2348445 0.85 MAPT (0.53) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2344354 0.85 MAPT (0.55) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2348835 0.85 MAPT (0.59) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2345583 0.84 ALDH1A1 (0.56) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2351869 0.83 MAPT (0.55) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2342770 0.83 RAF1 (0.69) MAPTNPC1RAB9AALDH1A1SMN1; SMN2

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-8008303-B2 e.g. 6-Methyl-biphenyl-3,4'-dicarboxylic acid 4'-[(3-bromo-phenyl)-amide]-[(4 morpholin-4-yl-phenyl)-amide]; viricide; with other active viricide such as interferon or ribavirin ASTRAZENECA AB (SE) 2011-08-30 US disclosed