SCHEMBL6965117

SCHEMBL6965117

Cn1c(C(F)(F)F)cc(=O)n(-c2c(F)cc(Cl)c([N+](=O)[O-])c2O)c1=O

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.32
GRIN3B O60391 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2A Q12879 2/20 0.32
GRIN2B Q13224 2/20 0.32
GRIN2C Q14957 2/20 0.32
GRIN3A Q8TCU5 2/20 0.32
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 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
SCHEMBL5382406 0.91 GRIN2D (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6971078 0.89 ALDH1A1 (0.31) MEN1KMT2AALDH1A1TSHR
SCHEMBL7655980 0.87 MAPT (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7559209 0.83 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5398338 0.83 GPR35 (0.31) KDM4E
SCHEMBL6970724 0.82 COMT (0.30)
SCHEMBL7669350 0.82 GRM4 (0.30)
SCHEMBL6792340 0.80 COMT (0.30)
SCHEMBL7905033 0.80 GRM4 (0.32)
SCHEMBL7684644 0.76 ALDH1A1 (0.34) KDM4EKMT2AALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6624119-B1 Herbicidally active uracil compounds which allow better targeted control of undesirable plants than the known uracil compounds BASF AKTIENGESELLSCHAFT (DE) 2003-09-23 US disclosed
EP-1131319-B1 3- BENZ(OX/THI)AZOL-7-YL -1H-PYRIMIDINE-2,4-DIONES BASF AG (DE) 2003-09-03 EP disclosed