SCHEMBL4376003

SCHEMBL4376003

CC(C)(C)OC(=O)NCC#CCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
RAB9A P51151 2/20 0.51
ALOX5 P09917 1/20 0.51
NPC1 O15118 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
ADRA2A P08913 1/20 0.45
DRD5 P21918 1/20 0.45
DRD3 P35462 1/20 0.45
P2RY6 Q15077 1/20 0.45
NR3C2 P08235 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAOB P27338 2/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL3135845 0.86 ADRA2A (0.54) MAPTRAB9AALOX5NPC1SMN1; SMN2
SCHEMBL1019102 0.85 MAPT (0.55) MAPTRAB9AALOX5NPC1SMN1; SMN2
SCHEMBL3064038 0.83 ALDH1A1 (0.54) MAPTRAB9AALOX5NPC1SMN1; SMN2
SCHEMBL8163779 0.80 MAPT (0.50) MAPTRAB9AALOX5NPC1SMN1; SMN2
SCHEMBL20819271 0.79 ALOX5 (0.52) MAPTRAB9AALOX5NPC1SMN1; SMN2
SCHEMBL30300872 0.78 MAPT (0.48) MAPTRAB9AALOX5NPC1SMN1; SMN2
SCHEMBL27477064 0.78 ALOX5 (0.59) MAPTRAB9AALOX5NPC1SMN1; SMN2
SCHEMBL12330711 0.78 ADRA2A (0.46) MAPTRAB9AALOX5NPC1SMN1; SMN2
SCHEMBL15807639 0.78 PTPN11 (0.62) MAPTRAB9AALOX5NPC1SMN1; SMN2
SCHEMBL18059295 0.77 ALOX5 (0.53) MAPTRAB9AALOX5NPC1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114158-A1 3-SUBSTITUTED-[1,2,3]BENZOTRIAZINONE COMPOUNDS FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2009-11-11 EP disclosed
WO-2008085505-A1 3-SUBSTITUTED-[1,2,3]BENZOTRIAZINONE COMPOUNDS FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2008-07-17 WO disclosed