SCHEMBL7992252

SCHEMBL7992252

O=[N+]([O-])C=C(SCc1ccccc1)SCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 8/20 0.46
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
PAM P19021 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40

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
Potassium Ion SCHEMBL11782630 0.83 CA12 (0.42) IDO1NOS3NOS1NOS2ALDH1A1
SCHEMBL11782623 0.83 IDO1 (0.41) IDO1NOS3NOS1NOS2ALDH1A1
SCHEMBL11782625 0.83 IDO1 (0.41) IDO1NOS3NOS1NOS2ALDH1A1
SCHEMBL7521246 0.78 IDO1 (0.37) IDO1NOS3NOS1NOS2ALDH1A1
SCHEMBL11466850 0.75 ALDH1A1 (0.46) IDO1NOS3NOS1NOS2ALDH1A1
SCHEMBL11466851 0.75 ALDH1A1 (0.46) IDO1NOS3NOS1NOS2ALDH1A1
SCHEMBL5526312 0.73 MEN1 (0.41) IDO1NOS3NOS1NOS2ALDH1A1
SCHEMBL28175036 0.73 CES1 (0.50) ALDH1A1MAPTL3MBTL1PAMMEN1
SCHEMBL2499860 0.71 IDO1 (0.56) IDO1NOS3NOS1NOS2L3MBTL1
SCHEMBL11362612 0.70 CES2 (0.47) ALDH1A1MAPTL3MBTL1MEN1KMT2A

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 24 patents — showing the first 20. 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
EP-0212600-B1 NITROMETHYLENE DERIVATIVES NIHON BAYER AGROCHEM K.K. (JP) 1991-11-27 EP disclosed
US-5001138-A Insecticides NIHON TOKUSHU NOYAKU SEIZO, K.K. (JP) 1991-03-19 US disclosed
US-4772620-A MITICIDES, PARASITICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-09-20 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
US-4678795-A 1-pyridylmethyl-2-nitromethylene-1,3-diazacycloalkane insecticides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1987-07-07 US disclosed
EP-0212600-A2 Nitromethylene derivatives NIHON BAYER AGROCHEM K.K. (JP) 1987-03-04 EP disclosed
EP-0199974-A2 Nitromethylene-tetrahydropyrimidine NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-11-05 EP disclosed
EP-0192060-A1 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1986-08-27 EP disclosed
EP-0163855-A1 Nitromethylene derivatives, intermediates, and process for their preparation as insecticides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1985-12-11 EP disclosed
US-4221737-A ANTIULCER BRISTOL-MYERS COMPANY (US) 1980-09-09 US disclosed
US-4203909-A ANTIULCER BRISTOL-MYERS COMPANY (US) 1980-05-20 US disclosed
US-4200760-A ANTIULCER, H2-RECEPTOR BLOCKING AGENTS BRISTOL-MYERS COMPANY (US) 1980-04-29 US disclosed