SCHEMBL28804129

SCHEMBL28804129

COc1ccc(CNc2nc(-c3ccc(O)cc3)c(Cc3ccccc3)s2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLTP P55058 3/20 0.52
PTGDR2 Q9Y5Y4 5/20 0.51
CETP P11597 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PTGS2 P35354 1/20 0.47
HPGD P15428 1/20 0.46
ALOX5 P09917 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
NR1H4 Q96RI1 1/20 0.44

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
SCHEMBL27925087 0.92 NPC1 (0.54) PTGDR2CETPNPC1RAB9AALDH1A1
SCHEMBL27925165 0.89 CETP (0.50) PTGDR2CETPNPC1RAB9AALDH1A1
SCHEMBL28020949 0.83 NPC1 (0.52) PTGDR2CETPNPC1RAB9AALDH1A1
SCHEMBL1305146 0.82 PLTP (0.72) PLTPPTGDR2NPC1RAB9AMAPT
SCHEMBL27907145 0.81 PTGDR2 (0.47) PTGDR2NPC1RAB9AALDH1A1GAA
SCHEMBL11368657 0.81 PTGS2 (0.65) NPC1RAB9AALDH1A1GAAMAPT
SCHEMBL27907150 0.80 ADORA2A (0.50) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL27907147 0.80 RAB9A (0.54) NPC1RAB9AGAAMAPTMEN1
SCHEMBL1303816 0.77 ADORA1 (0.66) PLTPPTGDR2NPC1RAB9AALDH1A1
SCHEMBL1304427 0.77 ADORA1 (0.65) PLTPPTGDR2NPC1RAB9AALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103159695-B HIV can be suppressed to copy and to effective thiazole compound of resistance HIV virus strain and its production and use CAPITAL NORMAL UNIVERSITY (CN) 2015-08-12 CN claimed
CN-103159695-A Thiazole compound capable of restraining human immunodeficiency virus (HIV) replication and effective against drug-resistant HIV virus strains and preparation method and purpose thereof UNIV CAPITAL NORMAL 2013-06-19 CN claimed
CN-103159695-B HIV can be suppressed to copy and to effective thiazole compound of resistance HIV virus strain and its production and use CAPITAL NORMAL UNIVERSITY (CN) 2015-08-12 CN disclosed
CN-103159695-A Thiazole compound capable of restraining human immunodeficiency virus (HIV) replication and effective against drug-resistant HIV virus strains and preparation method and purpose thereof UNIV CAPITAL NORMAL 2013-06-19 CN disclosed