SCHEMBL7981835

SCHEMBL7981835

O=[N+]([O-])C=C1NCCCN1Cc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.69
CHRNA3 P32297 1/20 0.69
CHRNA7 P36544 1/20 0.69
SMN1; SMN2 Q16637 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
MAPT P10636 4/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
CYP2C19 P33261 4/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2D6 P10635 3/20 0.36
CYP1A2 P05177 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL9408645 1.00 CHRNA1 (0.69) CHRNA1CHRNA3CHRNA7SMN1; SMN2L3MBTL1
SCHEMBL1866150 0.93 SMN1; SMN2 (0.67) CHRNA1CHRNA3CHRNA7SMN1; SMN2L3MBTL1
SCHEMBL12373561 0.93 SMN1; SMN2 (0.67) CHRNA1CHRNA3CHRNA7SMN1; SMN2L3MBTL1
SCHEMBL1866151 0.93 SMN1; SMN2 (0.67) CHRNA1CHRNA3CHRNA7SMN1; SMN2L3MBTL1
SCHEMBL9408699 0.88 CHRNA1 (0.74) CHRNA1CHRNA3CHRNA7SMN1; SMN2L3MBTL1
SCHEMBL7993656 0.88 CHRNA1 (0.71) CHRNA1CHRNA3CHRNA7SMN1; SMN2MAPT
SCHEMBL10684318 0.88 CHRNA1 (0.74) CHRNA1CHRNA3CHRNA7SMN1; SMN2L3MBTL1
SCHEMBL10911529 0.88 CHRNA1 (0.64) CHRNA1CHRNA3CHRNA7SMN1; SMN2KMT2A
SCHEMBL9408586 0.87 CHRNA1 (0.69) CHRNA1CHRNA3CHRNA7SMN1; SMN2KMT2A
SCHEMBL10876966 0.87 CHRNA1 (0.69) CHRNA1CHRNA3CHRNA7SMN1; SMN2L3MBTL1

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-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
CN-1099030-A Biocidal compounds SHELL INT RESEARCH (NL) 1995-02-22 CN disclosed
EP-0623601-A1 N-(3-Fluorobenzyl)heterocyclic derivatives and their use as pesticides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1994-11-09 EP 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