SCHEMBL7993530

SCHEMBL7993530

O=[N+]([O-])C=C1NCCCN1Cc1cncs1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.56
CHRNA3 P32297 1/20 0.56
CHRNA7 P36544 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL10614316 0.93 SMN1; SMN2 (0.56) CHRNA1CHRNA3CHRNA7SMN1; SMN2ALDH1A1
SCHEMBL10614324 0.93 SMN1; SMN2 (0.56) CHRNA1CHRNA3CHRNA7SMN1; SMN2ALDH1A1
SCHEMBL7981851 0.82 CHRNA1 (0.64) CHRNA1CHRNA3CHRNA7SMN1; SMN2ALDH1A1
SCHEMBL7993675 0.81 CHRNA1 (0.56) CHRNA1CHRNA3CHRNA7SMN1; SMN2ALDH1A1
SCHEMBL7992444 0.79 CHRNA1 (0.57) CHRNA1CHRNA3CHRNA7SMN1; SMN2ALDH1A1
SCHEMBL7993656 0.78 CHRNA1 (0.71) CHRNA1CHRNA3CHRNA7SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL10734627 0.77 CHRNA1 (0.69) CHRNA1CHRNA3CHRNA7SMN1; SMN2ALDH1A1
SCHEMBL7993532 0.76 CHRNB2 (0.36) CHRNA1CHRNA3CHRNA7SMN1; SMN2
SCHEMBL9070414 0.76 CHRNA1 (0.69) CHRNA1CHRNA3CHRNA7SMN1; SMN2ALDH1A1
SCHEMBL7999266 0.76 CHRNA1 (0.59) CHRNA1CHRNA3CHRNA7SMN1; SMN2ALDH1A1

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-5298507-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1994-03-29 US claimed
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-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