SCHEMBL9070367

SCHEMBL9070367

O=[N+]([O-])C=C1NCCN1Cc1cnc(Br)cc1Br

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
CHRNA1 P02708 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA7 P36544 1/20 0.50
CHRNB2 P17787 3/20 0.33
CHRNA4 P43681 3/20 0.33
ALDH1A1 P00352 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
SCHEMBL9070365 1.00 SMN1; SMN2 (0.56) SMN1; SMN2CHRNA1CHRNA3CHRNA7CHRNB2
SCHEMBL9068999 0.81 SMN1; SMN2 (0.74) SMN1; SMN2CHRNA1CHRNA3CHRNA7CHRNB2
SCHEMBL9068998 0.81 SMN1; SMN2 (0.74) SMN1; SMN2CHRNA1CHRNA3CHRNA7CHRNB2
SCHEMBL9578776 0.80 SMN1; SMN2 (0.63) SMN1; SMN2CHRNA1CHRNA3CHRNA7CHRNB2
SCHEMBL9578779 0.80 SMN1; SMN2 (0.63) SMN1; SMN2CHRNA1CHRNA3CHRNA7CHRNB2
SCHEMBL234915 0.79 CHRNB2 (0.51) SMN1; SMN2CHRNB2CHRNA4ALDH1A1
SCHEMBL9068990 0.76 CHRNA1 (0.76) SMN1; SMN2CHRNA1CHRNA3CHRNA7CHRNB2
SCHEMBL9305854 0.75 SMN1; SMN2 (0.51) SMN1; SMN2CHRNA1CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL10483926 0.75 CHRNA1 (0.74) SMN1; SMN2CHRNA1CHRNA3CHRNA7CHRNB2
Succinic Acid SCHEMBL9069357 0.75 SMN1; SMN2 (0.65) SMN1; SMN2CHRNA1CHRNA3CHRNA7CHRNB2

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 15 patents. 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-5521176-A Agrochemical compositions containing certain N-heterocycligs, compounds and stabilizer NIHON BAYER AGROCHEM K.K. (JP) 1996-05-28 US disclosed
EP-0431361-B1 Use of stabilizers for agrochemical compositions BAYER AGROCHEM KK (JP) 1994-02-23 EP disclosed
US-5260312-A A heterocyclic compound, organophosphorous compounds and one or more compounds having polyethylene glycol or polypropylene glycol or their copolymer NIHON BAYER AGROCHEM K.K. (JP) 1993-11-09 US disclosed
EP-0431362-B1 Stabilized agrochemical compositions BAYER AGROCHEM KK (JP) 1993-11-03 EP 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-4780457-A SYNERGISTIC NITROMETHYLENE DERIVATIVE AND CHLORPYRIFOS DERIVATIVE NIHON TOKUSHI NOYAKU SEIZO K.K. (JP) 1988-10-25 US disclosed
US-4731385-A NITROMETHYLENE DERIVATIVE NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-03-15 US disclosed
US-4725589-A SYNERGISTIC BLEND OF NITROMETHYLENE AND ORGANOPHOSPHATE ESTER NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-02-16 US disclosed