SCHEMBL7822671

SCHEMBL7822671

Cc1c(C(F)(F)F)[nH]c(=O)n(-c2c(F)cc(Cl)c([N+](=O)[O-])c2F)c1=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 11/20 0.37
GRIN3B O60391 11/20 0.37
GRIN1 Q05586 11/20 0.37
GRIN2A Q12879 11/20 0.37
GRIN2B Q13224 11/20 0.37
GRIN2C Q14957 11/20 0.37
GRIN3A Q8TCU5 11/20 0.37
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
ABCC8 Q09428 1/20 0.31
KCNJ11 Q14654 1/20 0.31
HTT P42858 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
SCHEMBL4782020 0.73 USP2 (0.36) TSHRCDK4CCND1
SCHEMBL8101809 0.72 CDK4 (0.30) CDK4CCND1
SCHEMBL6971078 0.71 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL8336393 0.69 CDK4 (0.33) CDK4CCND1HTT
SCHEMBL22495466 0.69 HTT (0.40) HTT
SCHEMBL22467858 0.65 BCAT1 (0.42) ALDH1A1TSHRHTT
SCHEMBL9387652 0.65 PPOX (0.45)
SCHEMBL6980225 0.65 PPOX (0.42)
SCHEMBL9384318 0.64 MAOA (0.34) CDK4CCND1
SCHEMBL8612005 0.64 TP53 (0.34) ALDH1A1HTT

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
EP-1131319-A2 3- BENZ(OX/THI)AZOL-7-YL -1H-PYRIMIDINE-2,4-DIONES BASF AKTIENGESELLSCHAFT (DE) 2001-09-12 EP disclosed
WO-2000028822-A2 HERBICIDAL 3-(BENZO(OX/THI)AZOL-7-YL)-1H-PYRIMIDINE-2,4-DIONES BASF AKTIENGESELLSCHAFT (DE) 2000-05-25 WO disclosed