SCHEMBL9068992

SCHEMBL9068992

O=[N+]([O-])C=C1NCC=CN1Cc1ccc(Br)nc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.52
CHRNA4 P43681 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CHRNA1 P02708 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA7 P36544 1/20 0.49
ALDH1A1 P00352 2/20 0.37
CYP11B1 P15538 1/20 0.37
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CASP6 P55212 1/20 0.31
GRM2 Q14416 1/20 0.31
PARP1 P09874 1/20 0.31
TRPV6 Q9H1D0 1/20 0.30

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
Hydrochloric Acid SCHEMBL10483929 0.99 CHRNB2 (0.51) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL10564708 0.86 CHRNB2 (0.52) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL9070117 0.86 CHRNB2 (0.52) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL9070420 0.86 CHRNB2 (0.52) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL1019754 0.86 CHRNB2 (0.70) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL9070366 0.86 CHRNB2 (0.49) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
Hydrochloric Acid SCHEMBL10483913 0.85 CHRNB2 (0.69) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL9408574 0.84 CHRNB2 (0.46) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL10564722 0.84 CHRNB2 (0.49) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL9068998 0.82 SMN1; SMN2 (0.74) 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1032185-C Stabilized agrochemical compositions NIHON TOKUSHU NOYAKU SEIZO KK (JP) 1996-07-03 CN claimed
CN-1032182-C Stabilized agrochemical compositions NIHON TOKUSHU NOYAKU SEIZO KK (JP) 1996-07-03 CN claimed
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-4774247-A Nitromethylene derivative insecticides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-09-27 US claimed
CN-1032185-C Stabilized agrochemical compositions NIHON TOKUSHU NOYAKU SEIZO KK (JP) 1996-07-03 CN disclosed
CN-1032182-C Stabilized agrochemical compositions NIHON TOKUSHU NOYAKU SEIZO KK (JP) 1996-07-03 CN disclosed
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