SCHEMBL8306891

SCHEMBL8306891

Cc1c(F)c(F)c(O)c([N+](=O)[O-])c1F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.36
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
S100A4 P26447 1/20 0.34
GRIN2D O15399 4/20 0.33
GRIN3B O60391 4/20 0.33
GRIN1 Q05586 4/20 0.33
GRIN2A Q12879 4/20 0.33
GRIN2B Q13224 4/20 0.33
GRIN2C Q14957 4/20 0.33
GRIN3A Q8TCU5 4/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
IMPDH2 P12268 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL27491841 0.92 GPR35 (0.36) GPR35ALDH1A1TDP1S100A4GRIN2D
SCHEMBL27718348 0.83 GPR35 (0.36) GPR35ALDH1A1TDP1S100A4GRIN2D
SCHEMBL28089648 0.83 GPR35 (0.36) GPR35ALDH1A1TDP1S100A4GRIN2D
SCHEMBL27498639 0.83 GPR35 (0.36) GPR35ALDH1A1TDP1S100A4GRIN2D
SCHEMBL27484155 0.83 GPR35 (0.36) GPR35ALDH1A1TDP1S100A4GRIN2D
SCHEMBL8110757 0.82 TDP1 (0.39) ALDH1A1TDP1GRIN2DGRIN3BGRIN1
SCHEMBL10958493 0.82 TDP1 (0.39) ALDH1A1TDP1GRIN2DGRIN3BGRIN1
SCHEMBL8086823 0.82 S100A4 (0.39) GPR35S100A4GRIN2DGRIN3BGRIN1
SCHEMBL10976267 0.80 TDP1 (0.38) ALDH1A1TDP1GRIN2DGRIN3BGRIN1
SCHEMBL14359869 0.80 TDP1 (0.41) ALDH1A1TDP1GRIN2DGRIN3BGRIN1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102388026-B Dichloropropene compound and application thereof SINOCHEM CORP 2014-03-05 CN disclosed
CN-102006776-B Harmful arthropod control composition, and fused heterocyclic compound SUMITOMO CHEMICAL CO 2013-09-25 CN disclosed
CN-102573488-A Composition and method for controlling arthropod pests SUMITOMO CHEMICAL CO 2012-07-11 CN disclosed
CN-102573491-A Composition and method for controlling arthropod pests SUMITOMO CHEMICAL CO 2012-07-11 CN disclosed
CN-102573492-A Composition and method for controlling arthropod pests SUMITOMO CHEMICAL CO 2012-07-11 CN disclosed
CN-102573490-A Composition and method for controlling arthropod pests SUMITOMO CHEMICAL CO 2012-07-11 CN disclosed
CN-102388026-A Dichloropropene compound and application thereof SINOCHEM CORP 2012-03-21 CN disclosed
CN-102006776-A Harmful arthropod control composition, and fused heterocyclic compound SUMITOMO CHEMICAL CO 2011-04-06 CN disclosed
CN-101006075-A Bisarylurea derivatives useful for inhibiting CHK1 ICOS CORP (US) 2007-07-25 CN disclosed
EP-0469833-B1 N-Benzyl-Indoles, processes for their preparation and pharmaceutical compositions containing them LILLY CO ELI (GB) 1999-09-08 EP disclosed
CN-1040108-C Pharmaceutical compounds LILLY INDUSTRIES LTD (GB) 1998-10-07 CN disclosed
CN-1029479-C Process for preparing benzoxazine derivatives YAMANOUCHI PHARMACEUTICAL KK (JP) 1995-08-09 CN disclosed
CN-1061413-A Medicinal compound LILLY INDUSTRIES LTD (GB) 1992-05-27 CN disclosed
EP-0469833-A1 N-Benzyl-Indoles, processes for their preparation and pharmaceutical compositions containing them LILLY INDUSTRIES LIMITED (GB) 1992-02-05 EP disclosed
CN-1051910-A Benzoxazine derivatives and pharmaceutical compositions containing them YAMANOUCHI PHARMRCEUTICAL (JP) 1991-06-05 CN disclosed