SCHEMBL888492

SCHEMBL888492

O=[N+]([O-])/C=C1\NCCN1Cc1cnc(Cl)s1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.64
CHRNA1 P02708 1/20 0.57
CHRNA3 P32297 1/20 0.57
CHRNA7 P36544 1/20 0.57
ALDH1A1 P00352 3/20 0.39
CHRNB2 P17787 3/20 0.39
CHRNA4 P43681 3/20 0.39
LMNA P02545 3/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL8805817 1.00 SMN1; SMN2 (0.64) SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1
SCHEMBL888494 1.00 SMN1; SMN2 (0.64) SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1
SCHEMBL7981851 0.93 CHRNA1 (0.64) SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1
SCHEMBL7995214 0.87 SMN1; SMN2 (0.57) SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1
SCHEMBL7995216 0.87 SMN1; SMN2 (0.57) SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1
SCHEMBL7999514 0.84 SMN1; SMN2 (0.54) SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1
SCHEMBL7999515 0.84 SMN1; SMN2 (0.54) SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1
SCHEMBL13466313 0.82 ALDH1A1 (0.43) SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1
SCHEMBL10614324 0.81 SMN1; SMN2 (0.56) SMN1; SMN2CHRNA1CHRNA3CHRNA7ALDH1A1
SCHEMBL10614316 0.81 SMN1; SMN2 (0.56) 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 77 patents — showing the first 20. 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-9919979-B2 Fertilizer-compatible composition BAYER CROPSCIENCE LP (US) 2018-03-20 US disclosed
US-9662309-B2 Anti-demodicosis agent BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-05-30 US disclosed
US-9662309-B2 Anti-demodicosis agent BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-05-30 US disclosed
US-8993483-B2 Combination of active substances with insecticidal properties BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-31 US disclosed
EP-2377845-B1 HETEROCYCLIC NITROGENOUS OR OXYGENOUS COMPOUNDS WITH INSECTICIDAL ACTIVITY FORMED FROM DIALDEHYDES AND THEIR PREPARATION AND USES THEREOF UNIV EAST CHINA SCIENCE & TECH (CN) 2015-01-28 EP disclosed
EP-2377845-B1 HETEROCYCLIC NITROGENOUS OR OXYGENOUS COMPOUNDS WITH INSECTICIDAL ACTIVITY FORMED FROM DIALDEHYDES AND THEIR PREPARATION AND USES THEREOF UNIV EAST CHINA SCIENCE & TECH (CN) 2015-01-28 EP disclosed
US-8841294-B2 Active ingredient combinations having insecticidal and acaricidal properties BAYER CROPSCIENCE AG (DE) 2014-09-23 US disclosed
US-8809319-B2 Substituted 8-oxa-10,11-dihydroimidazo[2,3-a]bicyclo[3.2.1]oct-3-enes and use thereof as an insecticide EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2014-08-19 US disclosed
US-8809319-B2 Substituted 8-oxa-10,11-dihydroimidazo[2,3-a]bicyclo[3.2.1]oct-3-enes and use thereof as an insecticide EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2014-08-19 US disclosed
US-5204360-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1993-04-20 US disclosed
US-5122527-A INSECTICIDAL NITRO-SUBSTITUTED HETEROCYCLIC COMPOUNDS NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1992-06-16 US disclosed
US-5036082-A Pecticides; alkali resistance veterinary medicine NIHON TOKUSHU NOYAKU SEIZO K. K. (JP) 1991-07-30 US disclosed
US-5001138-A Insecticides NIHON TOKUSHU NOYAKU SEIZO, K.K. (JP) 1991-03-19 US disclosed
US-4960780-A Insectidal nitro-hydroimidazo[1,2-a] pyridines NIHON TOKUSHU NOYAKU SEIZO K. K. (JP) 1990-10-02 US disclosed
US-4876263-A Pesticidal nitro-substituted heterocyclic compounds NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-10-24 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