SCHEMBL7993539

SCHEMBL7993539

FC(F)(F)COc1ccc(CNCCS)cn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
SCN9A Q15858 3/20 0.40
EPHX2 P34913 4/20 0.40
CD274 Q9NZQ7 3/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP2J2 P51589 1/20 0.37
CACNA1G O43497 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNA1I Q9P0X4 1/20 0.37
KCNH2 Q12809 1/20 0.37
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TRPV3 Q8NET8 1/20 0.35

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
SCHEMBL10864933 0.86 L3MBTL1 (0.44) L3MBTL1SCN9AEPHX2CD274CYP2C9
SCHEMBL7995995 0.84 SCN8A (0.38) CD274CYP2C9CYP2C19KCNH2CYP1A2
SCHEMBL9829205 0.80 L3MBTL1 (0.53) L3MBTL1SCN9AEPHX2CYP2C9CYP2C19
SCHEMBL7993714 0.79 KDM1A (0.46) CYP2C9CYP2C19KCNH2
SCHEMBL4550724 0.79 L3MBTL1 (0.49) L3MBTL1SCN9AEPHX2CD274CYP2C9
SCHEMBL4330051 0.78 L3MBTL1 (0.49) L3MBTL1SCN9AEPHX2CYP2C9CYP2C19
SCHEMBL7996434 0.78 DAO (0.42) SCN9ACD274
SCHEMBL7993552 0.75 PTPRZ1 (0.42)
SCHEMBL9388917 0.74 L3MBTL1 (0.54) L3MBTL1SCN9AEPHX2CYP2C9CYP2C19
SCHEMBL12470245 0.73 L3MBTL1 (0.53) L3MBTL1SCN9AEPHX2CYP2C9CYP2C19

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 11 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