SCHEMBL27907147

SCHEMBL27907147

COc1ccc(CNc2nc(-c3cc(OC)ccc3OC)c(Cc3ccccc3)s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
GAA P10253 2/20 0.52
POLB P06746 1/20 0.46
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 3/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 1/20 0.43
CD274 Q9NZQ7 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 2/20 0.41
LTA4H P09960 1/20 0.41
NCF1 P14598 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
SCHEMBL27925053 0.98 RAB9A (0.56) RAB9ANPC1GAAPOLBPTGS1
SCHEMBL27907148 0.91 GAA (0.49) RAB9ANPC1GAAPOLBPTGS1
SCHEMBL27925087 0.85 NPC1 (0.54) RAB9ANPC1GAAPTGS2KMT2A
SCHEMBL28804129 0.80 PLTP (0.52) RAB9ANPC1GAAPTGS2KMT2A
SCHEMBL27925165 0.80 CETP (0.50) RAB9ANPC1GAAPTGS1PTGS2
SCHEMBL27907150 0.79 ADORA2A (0.50) RAB9ANPC1POLBKDM4EKMT2A
SCHEMBL27907145 0.78 PTGDR2 (0.47) RAB9ANPC1GAAPOLBL3MBTL1
SCHEMBL28020949 0.76 NPC1 (0.52) RAB9ANPC1GAAKDM4EKMT2A
SCHEMBL27907146 0.74 CETP (0.58) GAAPOLBL3MBTL1KDM4EKMT2A
SCHEMBL11368657 0.73 PTGS2 (0.65) RAB9ANPC1GAAPTGS1PTGS2

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