SCHEMBL7992326

SCHEMBL7992326

O=[N+]([O-])/N=C1\NCCN1Cc1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.52
CHRNA4 P43681 2/20 0.52
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
HTR6 P50406 1/20 0.40
ALOX5 P09917 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
HSP90AA1 P07900 1/20 0.39
PAX8 Q06710 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
CCR6 P51684 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7992330 1.00 CHRNB2 (0.52) CHRNB2CHRNA4MAPK1ALDH1A1SMN1; SMN2
SCHEMBL7993578 0.85 CHRNB2 (0.54) CHRNB2CHRNA4ALDH1A1SMN1; SMN2GAA
SCHEMBL7993571 0.85 CHRNB2 (0.54) CHRNB2CHRNA4ALDH1A1SMN1; SMN2GAA
SCHEMBL7992687 0.82 CHRNB2 (0.55) CHRNB2CHRNA4ALDH1A1SMN1; SMN2GAA
SCHEMBL7992689 0.82 CHRNB2 (0.55) CHRNB2CHRNA4ALDH1A1SMN1; SMN2GAA
SCHEMBL10573529 0.81 CHRNB2 (0.41) CHRNB2CHRNA4ALDH1A1KDM4EMEN1
SCHEMBL10573521 0.81 CHRNB2 (0.41) CHRNB2CHRNA4ALDH1A1KDM4EMEN1
SCHEMBL237959 0.80 CHRNB2 (0.55) CHRNB2CHRNA4ALDH1A1SMN1; SMN2MAPT
SCHEMBL238913 0.80 CHRNB2 (0.55) CHRNB2CHRNA4ALDH1A1SMN1; SMN2MAPT
SCHEMBL7993933 0.80 CHRNB2 (0.55) CHRNB2CHRNA4ALDH1A1SMN1; SMN2MAPT

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0431361-B1 Use of stabilizers for agrochemical compositions BAYER AGROCHEM KK (JP) 1994-02-23 EP claimed
EP-0431362-B1 Stabilized agrochemical compositions BAYER AGROCHEM KK (JP) 1993-11-03 EP claimed
EP-0431361-A1 Use of stabilizers for agrochemical compositions NIHON BAYER AGROCHEM K.K. (JP) 1991-06-12 EP claimed
EP-0431362-A1 Stabilized agrochemical compositions NIHON BAYER AGROCHEM K.K. (JP) 1991-06-12 EP claimed
JP-63156705-A None JP disclosed
JP-63126804-A None JP disclosed
JP-63126806-A None JP disclosed
JP-63126810-A None JP disclosed
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-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
JP-S63156705-A INSECTICIDAL AND FUNGICIDAL AGENT COMPOSITION FOR AGRICULTURAL USE NIPPON TOKUSHU NOYAKU SEIZO KK 1988-06-29 JP disclosed
JP-S63126810-A AGRICULTURAL AND HORTICULTURAL INSECTICIDE COMPOSITION NIPPON TOKUSHU NOYAKU SEIZO KK 1988-05-30 JP disclosed
JP-S63126804-A AGRICULTURAL AND HORTICULTURAL INSECTICIDAL COMPOSITION NIPPON TOKUSHU NOYAKU SEIZO KK 1988-05-30 JP disclosed
JP-S63126806-A AGRICULTURAL AND HORTICULTURAL INSECTICIDAL COMPOSITION NIPPON TOKUSHU NOYAKU SEIZO KK 1988-05-30 JP 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