SCHEMBL7638837

SCHEMBL7638837

O=[N+]([O-])N=C1NCCCN1Cc1ccc(Cl)nc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.66
CHRNA3 P32297 1/20 0.66
CHRNA7 P36544 1/20 0.66
ALDH1A1 P00352 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CHRNB2 P17787 2/20 0.55
CHRNA4 P43681 2/20 0.55
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CASP6 P55212 1/20 0.47
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL676764 1.00 CHRNA1 (0.66) CHRNA1CHRNA3CHRNA7ALDH1A1SMN1; SMN2
SCHEMBL8113019 1.00 CHRNA1 (0.66) CHRNA1CHRNA3CHRNA7ALDH1A1SMN1; SMN2
Imidacloprid SCHEMBL12002532 0.94 ALDH1A1 (0.64) CHRNA1CHRNA3CHRNA7ALDH1A1SMN1; SMN2
Imidacloprid SCHEMBL237917 0.94 ALDH1A1 (0.64) CHRNA1CHRNA3CHRNA7ALDH1A1SMN1; SMN2
Imidacloprid SCHEMBL22278 0.94 ALDH1A1 (0.64) CHRNA1CHRNA3CHRNA7ALDH1A1SMN1; SMN2
Imidacloprid SCHEMBL29436142 0.94 ALDH1A1 (0.64) CHRNA1CHRNA3CHRNA7ALDH1A1SMN1; SMN2
Imidacloprid SCHEMBL182289 0.94 ALDH1A1 (0.64) CHRNA1CHRNA3CHRNA7ALDH1A1SMN1; SMN2
Imidacloprid SCHEMBL9045947 0.90 ALDH1A1 (0.59) CHRNA1CHRNA3CHRNA7ALDH1A1SMN1; SMN2
SCHEMBL6642346 0.89 CHRNA1 (0.55) CHRNA1CHRNA3CHRNA7ALDH1A1SMN1; SMN2
Imidacloprid SCHEMBL15284816 0.89 ALDH1A1 (0.61) CHRNA1CHRNA3CHRNA7ALDH1A1SMN1; SMN2

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 36 patents — showing the first 20. 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
EP-0192060-A1 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1986-08-27 EP claimed
JP-61267575-A None JP disclosed
US-6403058-B1 CONTROLLING TERMITES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-11 US disclosed
US-6391327-B1 SYNERGISTIC PESTICIDAL COMPOSITION COMPRISING PRALLETHRIN AND NEONICOTINOID COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-05-21 US disclosed
US-6297374-B1 Nitroimino-nitromethylene—azole or-azine heterocyclic compounds, insecticidal compositions containing them, and insecticidal methods of using them NIHON BAYER AGROCHEM K.K. (JP) 2001-10-02 US disclosed
US-6284782-B1 INSECTICIDES; SYNERGISTIC MIXTURES SUMITOMO CHEMICAL CO., LTD. (JP) 2001-09-04 US disclosed
US-6255340-B1 SYNERGISTIC MIXTURE OF PRALLETHRIN AND A NEONICOTINOID COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-07-03 US disclosed
US-6201017-B1 TOPICALLY APPLYING TO ANIMAL A LIQUID MIXTURE COMPRISING 1-(TETRAHYDRUFURAN-3-YL)METHYL-3-METHYL-2-NITROGUANIDINE, A GLYCOL OR ITS MONOALKYL ETHER AND A SOLVENT TO CONTROL FLEAS, LICE, TICKS SUMITOMO CHEMICAL CO., LTD. (JP) 2001-03-13 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-5001138-A Insecticides NIHON TOKUSHU NOYAKU SEIZO, K.K. (JP) 1991-03-19 US disclosed
US-4845106-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-07-04 US disclosed
US-4742060-A 2-(NITROIMINO)- OR 2-(NITROMETHYLENE)-IMIDAZOLIDINES AS INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K. K. (JP) 1988-05-03 US disclosed
JP-S61267575-A NITROIMINO DERIVATIVE, PRODUCTION THEREOF AND INSECTICIDE NIPPON TOKUSHU NOYAKU SEIZO KK 1986-11-27 JP disclosed
EP-0192060-A1 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1986-08-27 EP disclosed