SCHEMBL9069331

SCHEMBL9069331

Cc1ncc(CN2CCN/C2=N\[N+](=O)[O-])s1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 6/20 0.34
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
GAA P10253 1/20 0.34
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
MAPT P10636 2/20 0.32
RECQL P46063 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
SCHEMBL9069332 1.00 CHRNB2 (0.49) CHRNB2CHRNA4SMN1; SMN2CYP1A2CYP3A4
SCHEMBL9068969 0.93 CHRNB2 (0.43) CHRNB2CHRNA4SMN1; SMN2CYP1A2CYP3A4
Imidaclothiz SCHEMBL238122 0.87 CHRNB2 (0.55) CHRNB2CHRNA4SMN1; SMN2CYP1A2CYP3A4
SCHEMBL234983 0.87 CHRNB2 (0.50) CHRNB2CHRNA4SMN1; SMN2CYP1A2CYP3A4
Imidaclothiz SCHEMBL676082 0.87 CHRNB2 (0.55) CHRNB2CHRNA4SMN1; SMN2CYP1A2CYP3A4
SCHEMBL237015 0.86 CHRNB2 (0.49) CHRNB2CHRNA4SMN1; SMN2CYP1A2CYP3A4
SCHEMBL9069000 0.86 CHRNB2 (0.49) CHRNB2CHRNA4SMN1; SMN2CYP1A2CYP3A4
SCHEMBL237765 0.86 CHRNB2 (0.49) CHRNB2CHRNA4SMN1; SMN2CYP1A2CYP3A4
SCHEMBL7982213 0.80 CHRNB2 (0.48) CHRNB2CHRNA4SMN1; SMN2CYP1A2CYP3A4
SCHEMBL9068971 0.79 CHRNB2 (0.33) CHRNB2CHRNA4KMT2AMEN1GAA

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