SCHEMBL7995367

SCHEMBL7995367

O=[N+]([O-])/C=C1\N(Cc2cccnc2)CCN1Cc1ccc(Cl)nc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.62
CHRNA1 P02708 2/20 0.59
CHRNA3 P32297 2/20 0.59
CHRNA7 P36544 2/20 0.59
ALDH1A1 P00352 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
CHRNB2 P17787 3/20 0.51
CHRNA4 P43681 3/20 0.51
CASP6 P55212 1/20 0.48
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL7995370 1.00 SMN1; SMN2 (0.62) SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1
SCHEMBL1249554 0.83 SMN1; SMN2 (0.63) SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1
SCHEMBL11914215 0.83 SMN1; SMN2 (0.63) SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1
SCHEMBL1249555 0.83 SMN1; SMN2 (0.63) SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1
SCHEMBL10863339 0.82 ALDH1A1 (0.51) SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1
SCHEMBL10863352 0.82 ALDH1A1 (0.51) SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1
SCHEMBL6624321 0.77 SMN1; SMN2 (1.00) SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1
SCHEMBL888337 0.77 SMN1; SMN2 (1.00) SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1
SCHEMBL888508 0.77 SMN1; SMN2 (1.00) SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1
Hydrochloric Acid SCHEMBL9069692 0.76 SMN1; SMN2 (0.98) SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4742060-A 2-(NITROIMINO)- OR 2-(NITROMETHYLENE)-IMIDAZOLIDINES AS INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K. K. (JP) 1988-05-03 US claimed
EP-0192060-A1 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1986-08-27 EP 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-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