SCHEMBL1677883

SCHEMBL1677883

CN1CCCC1CCNc1nc2ccc(NC(=N)c3cccs3)cc2s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 8/20 0.62
NOS1 P29475 8/20 0.62
NOS2 P35228 5/20 0.62
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
KDM4E B2RXH2 3/20 0.48
LCK P06239 1/20 0.45
LMNA P02545 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 3/20 0.43
TERT O14746 1/20 0.42
MEN1 O00255 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL6067765 0.93 NOS3 (0.69) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL1678651 0.84 NOS3 (0.55) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL1677886 0.82 NOS3 (0.88) NOS3NOS1NOS2
SCHEMBL1678623 0.80 NOS3 (0.66) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL1678137 0.79 RAB9A (0.53) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL1678356 0.78 NPC1 (0.51) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL5215368 0.77 NOS3 (0.55) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL6067767 0.77 NOS3 (1.00) NOS3NOS1NOS2
SCHEMBL1913776 0.76 NOS3 (0.58) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL1678929 0.76 QPCT (0.60) NOS3NOS1NOS2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4664673-B2 2011-04-06 JP claimed
EP-1539724-B1 AMINO BENZOTHIAZOLE COMPOUNDS WITH NOS INHIBITORY ACTIVITY NEURAXON INC (CA) 2007-10-10 EP claimed
JP-2006501210-A 2006-01-12 JP claimed
EP-1539724-A1 AMINO BENZOTHIAZOLE COMPOUNDS WITH NOS INHIBITORY ACTIVITY Neuraxon Inc. (CA) 2005-06-15 EP claimed
WO-2004014885-A1 AMINO BENZOTHIAZOLE COMPOUNDS WITH NOS INHIBITORY ACTIVITY NEURAXON INC. (CA) 2004-02-19 WO claimed
EP-1539724-B1 AMINO BENZOTHIAZOLE COMPOUNDS WITH NOS INHIBITORY ACTIVITY NEURAXON INC (CA) 2007-10-10 EP disclosed
EP-1539724-B1 AMINO BENZOTHIAZOLE COMPOUNDS WITH NOS INHIBITORY ACTIVITY NEURAXON INC (CA) 2007-10-10 EP disclosed
EP-1539724-A1 AMINO BENZOTHIAZOLE COMPOUNDS WITH NOS INHIBITORY ACTIVITY Neuraxon Inc. (CA) 2005-06-15 EP disclosed
WO-2004014885-A1 AMINO BENZOTHIAZOLE COMPOUNDS WITH NOS INHIBITORY ACTIVITY NEURAXON INC. (CA) 2004-02-19 WO disclosed