SCHEMBL7995995

SCHEMBL7995995

FC(F)(F)Oc1ccc(CNCCS)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 2/20 0.38
CD274 Q9NZQ7 6/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ENPP2 Q13822 1/20 0.35
OPRM1 P35372 5/20 0.33
PDCD1 Q15116 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
OPRD1 P41143 4/20 0.32
OPRK1 P41145 3/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
GRIN1 Q05586 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL10863658 0.85 SCN8A (0.40) SCN8ACD274CYP1A2CYP3A4CYP2C9
SCHEMBL7993539 0.84 L3MBTL1 (0.44) CD274CYP1A2CYP2C9CYP2C19KCNH2
SCHEMBL7996434 0.79 DAO (0.42) CD274OPRM1PDCD1OPRD1
SCHEMBL7993714 0.77 KDM1A (0.46) CYP3A4CYP2C9CYP2C19OPRM1DRD3
SCHEMBL7981951 0.74 CXCR4 (0.38) CD274CYP1A2CYP3A4CYP2C19PDCD1
SCHEMBL10864446 0.74 MC4R (0.37) SCN8ACD274OPRM1PDCD1OPRD1
SCHEMBL7993552 0.73 PTPRZ1 (0.42) CXCR4
SCHEMBL24401039 0.73 LOXL2 (0.37) CYP1A2CYP3A4CYP2C9CYP2C19ENPP2
SCHEMBL8572249 0.73 ENPP2 (0.35) CYP1A2CYP3A4CYP2C9CYP2C19ENPP2
SCHEMBL21922351 0.73 ENPP2 (0.37) CYP1A2CYP3A4CYP2C9CYP2C19ENPP2

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