SCHEMBL9070366

SCHEMBL9070366

COc1ccc(CN2C=CCNC2=C[N+](=O)[O-])cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.49
CHRNA4 P43681 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CHRNA1 P02708 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA7 P36544 1/20 0.47
CYP11B1 P15538 1/20 0.38
ALDH1A1 P00352 1/20 0.35
CHRM1 P11229 2/20 0.34
TRPV6 Q9H1D0 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
PDE1C Q14123 2/20 0.32
PDE9A O76083 1/20 0.32

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
Succinic Acid SCHEMBL9326088 0.93 CHRNB2 (0.44) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL10564802 0.87 CHRNB2 (0.47) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL10568148 0.86 CHRNB2 (0.46) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL9068992 0.86 CHRNB2 (0.52) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL9070117 0.86 CHRNB2 (0.52) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
Hydrochloric Acid SCHEMBL10483929 0.85 CHRNB2 (0.51) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL10564708 0.84 CHRNB2 (0.52) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL1019754 0.84 CHRNB2 (0.70) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL9069340 0.84 SMN1; SMN2 (0.70) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL9069341 0.84 SMN1; SMN2 (0.70) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3

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
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-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