SCHEMBL7993674

SCHEMBL7993674

O=C(Oc1ccccc1)N1CCNC1=N[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.41
▸ MGLL Q99685 3/20 0.38
▸ FAAH O00519 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 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
SCHEMBL7995603 1.00 GAA (0.41) GAAMGLLFAAHSMN1; SMN2CHRNA7
SCHEMBL7993671 1.00 GAA (0.41) GAAMGLLFAAHSMN1; SMN2CHRNA7
SCHEMBL10574468 0.81 NPC1 (0.46) GAASMN1; SMN2NPC1RAB9A
SCHEMBL10574469 0.81 NPC1 (0.46) GAASMN1; SMN2NPC1RAB9A
SCHEMBL6823988 0.76 GAA (0.61) GAAMGLLSMN1; SMN2CHRNA7HTR3A
SCHEMBL7995355 0.76 ALDH1A1 (0.36) FAAHSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL7995353 0.76 ALDH1A1 (0.36) FAAHSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL7993053 0.72 KMT2A (0.46) GAASMN1; SMN2CHRNA7ALDH1A1RAB9A
SCHEMBL7993058 0.72 KMT2A (0.46) GAASMN1; SMN2CHRNA7ALDH1A1RAB9A
SCHEMBL10576525 0.72 CHRNB2 (0.34) GAAFAAH

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 12 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
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
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