SCHEMBL7992687

SCHEMBL7992687

Cc1ccc(CN2CCN/C2=N\[N+](=O)[O-])cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.55
CHRNA4 P43681 2/20 0.55
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CHRNA1 P02708 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRM1 P11229 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
CASP6 P55212 1/20 0.35
GAA P10253 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL7992689 1.00 CHRNB2 (0.55) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CHRNA1
SCHEMBL9070115 0.94 CHRNB2 (0.50) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CHRNA1
Imidacloprid SCHEMBL29436142 0.85 ALDH1A1 (0.64) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CHRNA1
Imidacloprid SCHEMBL22278 0.85 ALDH1A1 (0.64) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CHRNA1
Imidacloprid SCHEMBL237917 0.85 ALDH1A1 (0.64) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CHRNA1
Imidacloprid SCHEMBL182289 0.85 ALDH1A1 (0.64) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CHRNA1
SCHEMBL237959 0.85 CHRNB2 (0.55) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CHRNA1
SCHEMBL237687 0.85 CHRNB2 (0.55) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CHRNA1
SCHEMBL7993933 0.85 CHRNB2 (0.55) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CHRNA1
SCHEMBL238913 0.85 CHRNB2 (0.55) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CHRNA1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0431361-B1 Use of stabilizers for agrochemical compositions BAYER AGROCHEM KK (JP) 1994-02-23 EP claimed
EP-0431362-B1 Stabilized agrochemical compositions BAYER AGROCHEM KK (JP) 1993-11-03 EP claimed
EP-0431361-A1 Use of stabilizers for agrochemical compositions NIHON BAYER AGROCHEM K.K. (JP) 1991-06-12 EP claimed
EP-0431362-A1 Stabilized agrochemical compositions NIHON BAYER AGROCHEM K.K. (JP) 1991-06-12 EP claimed
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
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-5580889-A Insecticidal nitromethyl or niteoimino-heteromethyl-heterocyclics NIHON BAYER AGROCHEM K.K. (JP) 1996-12-03 US disclosed
US-5521176-A Agrochemical compositions containing certain N-heterocycligs, compounds and stabilizer NIHON BAYER AGROCHEM K.K. (JP) 1996-05-28 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
EP-0431361-B1 Use of stabilizers for agrochemical compositions BAYER AGROCHEM KK (JP) 1994-02-23 EP disclosed
US-5204360-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1993-04-20 US disclosed
US-5165934-A Heterocyclic compounds, organophosphorous compounds, amorphous silica; insecticides, fungicides NIHON BAYER AGROCHEM K.K. (JP) 1992-11-24 US disclosed
US-5140019-A Mixtures of substituted imidazolines and organophosphorus compounds with polyether stabilizers NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1992-08-18 US disclosed
EP-0431361-A1 Use of stabilizers for agrochemical compositions NIHON BAYER AGROCHEM K.K. (JP) 1991-06-12 EP disclosed
EP-0431362-A1 Stabilized agrochemical compositions NIHON BAYER AGROCHEM K.K. (JP) 1991-06-12 EP 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