SCHEMBL7993909

SCHEMBL7993909

OCCNCc1cc(C(F)(F)F)no1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.38
HDAC4 P56524 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
GSR P00390 2/20 0.34
CACNA1G O43497 3/20 0.32
EPHX2 P34913 1/20 0.32
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
USP28 Q96RU2 1/20 0.30
USP25 Q9UHP3 1/20 0.30

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
SCHEMBL10865941 0.84 CACNA1G (0.32) CACNA1G
SCHEMBL410519 0.77 NOTUM (0.43) S1PR1HDAC6EPHX2
SCHEMBL7992354 0.75 VHL (0.44) GSREPHX2
SCHEMBL411970 0.70 KDM4E (0.34) EPHX2
SCHEMBL410525 0.70 NOTUM (0.43) EPHX2
SCHEMBL9892806 0.70 KDM4E (0.37) EPHX2
SCHEMBL7982124 0.70 ALDH1A1 (0.34) EPHX2
Hydrochloric Acid SCHEMBL442084 0.68 NOTUM (0.42) EPHX2
SCHEMBL17653870 0.68 AGBL2 (0.38) EPHX2
SCHEMBL10864407 0.68 MC4R (0.32)

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