SCHEMBL8549657

SCHEMBL8549657

C[C]1CCc2ccccc2N1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.57
MAPK13 O15264 1/20 0.57
MAPK12 P53778 1/20 0.57
MAPK11 Q15759 1/20 0.57
MAPK14 Q16539 1/20 0.57
MAPT P10636 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 2/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 2/20 0.43
AHR P35869 1/20 0.43
PDK2 Q15119 1/20 0.43
HSP90AA1 P07900 1/20 0.43
THRB P10828 1/20 0.43
HK1 P19367 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
GALK1 P51570 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
SCHEMBL407439 0.83 NPC1 (0.70) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL11577803 0.79 NPC1 (0.56) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL8133079 0.75 MEN1 (0.53) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL30105853 0.75 MAPT (0.62) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6969939 0.75 MAPT (0.62) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6469101 0.74 NPC1 (0.72) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL30763449 0.74 NPC1 (0.48) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4861947 0.73 MAPT (0.72) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL9688137 0.73 NPC1 (0.57) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4227502 0.73 NPC1 (1.00) NPC1MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5641727-A Herbicidal 1-pyridyltetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1997-06-24 US claimed
EP-0692482-A2 1-pyridyltetrazolinone derivatives NIHON BAYER AGROCHEM K.K. (JP) 1996-01-17 EP claimed
US-5776858-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1998-07-07 US disclosed
EP-0820994-A1 Tetrazolinones as herbicides and intermediates NIHON BAYER AGROCHEM K.K. (JP) 1998-01-28 EP disclosed
US-5710278-A Herbicidal 1-pyridyltetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1998-01-20 US disclosed
US-5641727-A Herbicidal 1-pyridyltetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1997-06-24 US disclosed
EP-0771797-A1 1-Azinyl-tetrazolinone herbicides NIHON BAYER AGROCHEM K.K. (JP) 1997-05-07 EP disclosed
US-5589439-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1996-12-31 US disclosed
EP-0695748-A1 Tetrazolinone herbicides NIHON BAYER AGROCHEM K.K. (JP) 1996-02-07 EP disclosed
EP-0692482-A2 1-pyridyltetrazolinone derivatives NIHON BAYER AGROCHEM K.K. (JP) 1996-01-17 EP disclosed