SCHEMBL9068971

SCHEMBL9068971

Cc1ncc(CN2C=CCNC2=N[N+](=O)[O-])s1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 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
SCHEMBL7982216 0.87 CHRNB2 (0.37) CHRNB2CHRNA4MEN1GAAKMT2A
SCHEMBL7992446 0.80 CHRNB2 (0.37) CHRNB2CHRNA4MEN1KMT2A
SCHEMBL9069331 0.79 CHRNB2 (0.49) CHRNB2CHRNA4MEN1GAAKMT2A
SCHEMBL9069332 0.79 CHRNB2 (0.49) CHRNB2CHRNA4MEN1GAAKMT2A
SCHEMBL9068969 0.77 CHRNB2 (0.43) CHRNB2CHRNA4MEN1GAAKMT2A
SCHEMBL9070120 0.77 CHRNB2 (0.39) CHRNB2CHRNA4GAA
SCHEMBL7638845 0.73 ALDH1A1 (0.52) CHRNB2CHRNA4
SCHEMBL9069338 0.73 CHRNB2 (0.39) CHRNB2CHRNA4
SCHEMBL8011730 0.71 ALDH1A1 (0.38) CHRNB2CHRNA4
SCHEMBL14012895 0.68 POLB (0.33) MEN1GAAKMT2A

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-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