SCHEMBL7999514

SCHEMBL7999514

O=[N+]([O-])/C=C1\NCCN1Cc1cnc(C(F)(F)F)s1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
CHRNA1 P02708 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA7 P36544 1/20 0.48
CACNA1G O43497 4/20 0.35
CACNA1H O95180 4/20 0.35
CACNA1I Q9P0X4 4/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
EGLN2 Q96KS0 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
EGLN3 Q9H6Z9 1/20 0.31
ENPP2 Q13822 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
SCHEMBL7999515 1.00 SMN1; SMN2 (0.54) SMN1; SMN2CHRNA1CHRNA3CHRNA7CACNA1G
SCHEMBL888494 0.84 SMN1; SMN2 (0.64) SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1
SCHEMBL888492 0.84 SMN1; SMN2 (0.64) SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1
SCHEMBL8805817 0.84 SMN1; SMN2 (0.64) SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1
SCHEMBL7995214 0.83 SMN1; SMN2 (0.57) SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1
SCHEMBL7995216 0.83 SMN1; SMN2 (0.57) SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1
SCHEMBL10672935 0.80 CACNA1G (0.34) SMN1; SMN2CACNA1GCACNA1HCACNA1IEGLN2
SCHEMBL7999662 0.79 SMN1; SMN2 (0.64) SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1
SCHEMBL7999665 0.79 SMN1; SMN2 (0.64) SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1
SCHEMBL9839116 0.77 SMN1; SMN2 (0.71) SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0192060-A1 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1986-08-27 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-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