SCHEMBL7996434

SCHEMBL7996434

FC(F)Oc1ccc(CNCCS)cn1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.42
CD274 Q9NZQ7 7/20 0.38
SCN9A Q15858 1/20 0.36
OPRM1 P35372 2/20 0.35
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
PTGES O14684 7/20 0.33
PDCD1 Q15116 2/20 0.32
OPRD1 P41143 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
SCHEMBL7995995 0.79 SCN8A (0.38) CD274OPRM1PDCD1OPRD1
SCHEMBL7993539 0.78 L3MBTL1 (0.44) CD274SCN9A
SCHEMBL4343475 0.78 DAO (0.46) DAOSCN9AHCRTR1HCRTR2PTGES
SCHEMBL7999393 0.77 CXCR4 (0.33) CD274PDCD1
SCHEMBL28919329 0.76 DAO (0.44) DAOCD274SCN9AHCRTR1HCRTR2
SCHEMBL7981951 0.74 CXCR4 (0.38) CD274PDCD1
SCHEMBL10864459 0.74 MC4R (0.37) DAOCD274OPRM1PDCD1OPRD1
SCHEMBL26602965 0.73 SCN9A (0.46) DAOSCN9APTGES
SCHEMBL7992234 0.73 DAO (0.52) DAOSCN9AHCRTR1HCRTR2PTGES
SCHEMBL4541422 0.73 DAO (0.49) DAOSCN9AHCRTR1HCRTR2PTGES

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