SCHEMBL7820583

SCHEMBL7820583

O=[N+]([O-])/C=C1/CCCCN1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FKBP5 Q13451 1/20 0.38
CRBN Q96SW2 1/20 0.38
CHRNA1 P02708 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
OR51E2 Q9H255 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7820589 1.00 FKBP5 (0.38) FKBP5CRBNCHRNA1CHRNA3CHRNA7
SCHEMBL11724579 0.98 FKBP5 (0.37) FKBP5CRBNCHRNA1CHRNA3CHRNA7
SCHEMBL11726868 0.98 FKBP5 (0.37) FKBP5CRBNCHRNA1CHRNA3CHRNA7
SCHEMBL7159320 0.94
SCHEMBL7159324 0.94
SCHEMBL11554145 0.94
Ethane SCHEMBL27975940 0.90 OR51E2 (0.33) CHRNA1CHRNA3CHRNA7ALDH1A1NPSR1
Nitromethane SCHEMBL28152401 0.86 OR51E2 (0.31) OR51E2
SCHEMBL10734147 0.76 CHRNA1 (0.33) FKBP5CRBNCHRNA1CHRNA3CHRNA7
SCHEMBL7993733 0.71 CHRNA1 (0.33) CHRNA1CHRNA3CHRNA7ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6297374-B1 Nitroimino-nitromethylene—azole or-azine heterocyclic compounds, insecticidal compositions containing them, and insecticidal methods of using them NIHON BAYER AGROCHEM K.K. (JP) 2001-10-02 US disclosed
EP-0693066-B1 2-NITROMETHYLIDENE/2-CYANIMINO/2-NITRO-IMINO-PYRROLIDINES AND PIPERIDINES, INTERMEDIATES, AND THEIR USE AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2001-05-16 EP disclosed
US-6022967-A 1-NITRO-2-CARBOXYVINYL- OR 1-NITRO-2-(DIMETHYLAMINO)VINYL-SUBSTITUTED IMIDAZOLIDINES OR TETRAHYDROPYRIMIDINES NIHON BAYER AGROCHEM K.K. (JP) 2000-02-08 US disclosed
US-5750704-A INSECTICIDES NIHON BAYER AGROCHEM K.K. (JP) 1998-05-12 US disclosed
US-5580889-A Insecticidal nitromethyl or niteoimino-heteromethyl-heterocyclics NIHON BAYER AGROCHEM K.K. (JP) 1996-12-03 US disclosed
US-5461167-A 2-chloro-5-chloromethyl thiazole; insecticide NIHON BAYER AGROCHEM K.K. (JP) 1995-10-24 US disclosed
US-5428032-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1995-06-27 US disclosed
US-5298507-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1994-03-29 US disclosed
US-5204360-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1993-04-20 US disclosed
US-5001138-A Insecticides NIHON TOKUSHU NOYAKU SEIZO, K.K. (JP) 1991-03-19 US disclosed
US-4845106-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-07-04 US disclosed
US-4742060-A 2-(NITROIMINO)- OR 2-(NITROMETHYLENE)-IMIDAZOLIDINES AS INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K. K. (JP) 1988-05-03 US disclosed
EP-0192060-A1 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1986-08-27 EP disclosed
US-4025634-A N-(arylsulfonyl)-alpha-nitro-delta 2,alpha -piperidineacetamides SHELL OIL COMPANY (US) 1977-05-24 US disclosed