SCHEMBL7999524

SCHEMBL7999524

O=[N+]([O-])N=C1NCCN1Cc1ccc(OCC(F)(F)F)nc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.52
CHRNA4 P43681 1/20 0.52
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
CHRNA1 P02708 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPSR1 Q6W5P4 1/20 0.35
CACNA1G O43497 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP1A2 P05177 1/20 0.33
MOGAT2 Q3SYC2 1/20 0.33
KLKB1 P03952 1/20 0.33
SCN9A Q15858 1/20 0.33
MAPT P10636 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
SCHEMBL7999519 1.00 CHRNB2 (0.52) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CHRNA1
SCHEMBL7993740 0.86 CHRNB2 (0.53) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CHRNA1
SCHEMBL7993744 0.86 CHRNB2 (0.53) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CHRNA1
SCHEMBL7996012 0.85 CHRNB2 (0.53) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CHRNA1
SCHEMBL7996010 0.85 CHRNB2 (0.53) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CHRNA1
SCHEMBL9839034 0.81 SMN1; SMN2 (0.65) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CHRNA1
SCHEMBL9839038 0.81 SMN1; SMN2 (0.65) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CHRNA1
SCHEMBL237959 0.81 CHRNB2 (0.55) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CHRNA1
SCHEMBL7993933 0.81 CHRNB2 (0.55) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CHRNA1
SCHEMBL8011727 0.81 CHRNB2 (0.48) 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 9 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
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-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-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