SCHEMBL7993578

SCHEMBL7993578

O=[N+]([O-])N=C1NCCN1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.54
CHRNA4 P43681 1/20 0.54
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL7993571 1.00 CHRNB2 (0.54) CHRNB2CHRNA4MAPTCYP2C9CYP2C19
SCHEMBL7992330 0.85 CHRNB2 (0.52) CHRNB2CHRNA4MAPTALDH1A1SMN1; SMN2
SCHEMBL7992326 0.85 CHRNB2 (0.52) CHRNB2CHRNA4MAPTALDH1A1SMN1; SMN2
Imidacloprid SCHEMBL23293683 0.82 ALDH1A1 (0.57) CHRNB2CHRNA4MAPTCYP2C9CYP2C19
SCHEMBL5194225 0.82 CHRNB2 (0.49) CHRNB2CHRNA4CYP2C19DDB1CRBN
SCHEMBL5194219 0.82 CHRNB2 (0.49) CHRNB2CHRNA4CYP2C19DDB1CRBN
SCHEMBL9408721 0.82 CHRNB2 (0.47) CHRNB2CHRNA4MAPTCYP2C9CYP2C19
Imidacloprid SCHEMBL14645861 0.81 ALDH1A1 (0.58) CHRNB2CHRNA4MAPTCYP2C9CYP2C19
SCHEMBL7981981 0.81 CHRNB2 (0.64) CHRNB2CHRNA4MAPTCYP2C9CYP2C19
SCHEMBL8011665 0.81 CHRNB2 (0.64) CHRNB2CHRNA4MAPTCYP2C9CYP2C19

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
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-6022967-A 1-NITRO-2-CARBOXYVINYL- OR 1-NITRO-2-(DIMETHYLAMINO)VINYL-SUBSTITUTED IMIDAZOLIDINES OR TETRAHYDROPYRIMIDINES NIHON BAYER AGROCHEM K.K. (JP) 2000-02-08 US disclosed
US-5750704-A INSECTICIDES NIHON BAYER AGROCHEM K.K. (JP) 1998-05-12 US disclosed
US-5580889-A Insecticidal nitromethyl or niteoimino-heteromethyl-heterocyclics NIHON BAYER AGROCHEM K.K. (JP) 1996-12-03 US disclosed
US-5461167-A 2-chloro-5-chloromethyl thiazole; insecticide NIHON BAYER AGROCHEM K.K. (JP) 1995-10-24 US disclosed
US-5428032-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1995-06-27 US disclosed
US-5298507-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1994-03-29 US disclosed
US-5204360-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1993-04-20 US 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
EP-0192060-A1 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1986-08-27 EP disclosed