SCHEMBL7993948

SCHEMBL7993948

O=[N+]([O-])/C=C1/OCCN1Cc1ccc(Cl)nc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.64
CHRNA1 P02708 3/20 0.60
CHRNA7 P36544 3/20 0.60
CHRNA3 P32297 2/20 0.60
CHRNB2 P17787 3/20 0.55
CHRNA4 P43681 3/20 0.55
ALDH1A1 P00352 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
CASP6 P55212 1/20 0.49

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
SCHEMBL7993951 1.00 SMN1; SMN2 (0.64) SMN1; SMN2CHRNA1CHRNA7CHRNA3CHRNB2
SCHEMBL9092254 0.78 CHRNA1 (0.67) SMN1; SMN2CHRNA1CHRNA7CHRNA3CHRNB2
SCHEMBL888337 0.78 SMN1; SMN2 (1.00) SMN1; SMN2CHRNA1CHRNA7CHRNA3CHRNB2
SCHEMBL27558540 0.78 CHRNA1 (0.67) SMN1; SMN2CHRNA1CHRNA7CHRNA3CHRNB2
SCHEMBL888508 0.78 SMN1; SMN2 (1.00) SMN1; SMN2CHRNA1CHRNA7CHRNA3CHRNB2
SCHEMBL1020001 0.78 SMN1; SMN2 (0.64) SMN1; SMN2CHRNA1CHRNA7CHRNA3CHRNB2
SCHEMBL7995849 0.78 CHRNA1 (0.67) SMN1; SMN2CHRNA1CHRNA7CHRNA3CHRNB2
SCHEMBL6624321 0.78 SMN1; SMN2 (1.00) SMN1; SMN2CHRNA1CHRNA7CHRNA3CHRNB2
SCHEMBL10026156 0.78 SMN1; SMN2 (0.64) SMN1; SMN2CHRNA1CHRNA7CHRNA3CHRNB2
SCHEMBL1020000 0.78 SMN1; SMN2 (0.64) SMN1; SMN2CHRNA1CHRNA7CHRNA3CHRNB2

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 10 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-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