SCHEMBL7995341

SCHEMBL7995341

O=[N+]([O-])C=C1NCC=CN1Cc1cnc(Cl)nc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.52
CHRNA4 P43681 3/20 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
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CASP6 P55212 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
SCHEMBL1019754 0.87 CHRNB2 (0.70) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
Hydrochloric Acid SCHEMBL10483913 0.86 CHRNB2 (0.69) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL7993660 0.84 CHRNB2 (0.46) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL9408704 0.84 CHRNB2 (0.49) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
Hydrochloric Acid SCHEMBL10734635 0.82 CHRNB2 (0.46) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL10564708 0.82 CHRNB2 (0.52) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL9068992 0.82 CHRNB2 (0.52) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL9070420 0.82 CHRNB2 (0.52) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL9070117 0.82 CHRNB2 (0.52) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
Hydrochloric Acid SCHEMBL10483929 0.81 CHRNB2 (0.51) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5298507-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1994-03-29 US claimed
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-4742060-A 2-(NITROIMINO)- OR 2-(NITROMETHYLENE)-IMIDAZOLIDINES AS INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K. K. (JP) 1988-05-03 US disclosed