SCHEMBL7992313

SCHEMBL7992313

CSC(SC)=C(C(=O)c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
RAB9A P51151 2/20 0.50
LMNA P02545 1/20 0.50
XBP1 P17861 1/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CES2 O00748 12/20 0.47
CES1 P23141 11/20 0.47
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PRMT1 Q99873 1/20 0.39
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
POLB P06746 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
SCHEMBL6206793 0.74 CES2 (0.49) ALDH1A1MAPTMAPK1CES2CES1
SCHEMBL2376839 0.72 MAPT (0.58) ALDH1A1MAPTRAB9ALMNAXBP1
SCHEMBL361897 0.71 CES2 (0.59) ALDH1A1CES2CES1PRMT1
SCHEMBL6206779 0.70 CES2 (0.49) ALDH1A1MAPTMAPK1CES2CES1
SCHEMBL6206786 0.70 CES2 (0.49) ALDH1A1MAPTMAPK1CES2CES1
SCHEMBL13618095 0.70 ALDH1A1 (0.51) ALDH1A1MAPTRAB9ALMNAXBP1
SCHEMBL11455726 0.69 CES2 (0.57) ALDH1A1MAPTRAB9ALMNAXBP1
SCHEMBL28789945 0.68 CES2 (0.46) ALDH1A1MAPTRAB9ALMNAMAPK1
SCHEMBL6832632 0.67 CES2 (0.44) ALDH1A1MAPTRAB9ALMNAMAPK1
SCHEMBL6832635 0.67 CES2 (0.44) ALDH1A1MAPTRAB9ALMNAMAPK1

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