SCHEMBL7459017

SCHEMBL7459017

COC1(Cl)C=CC([N+](=O)[O-])=CC1C(O)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
GSR P00390 1/20 0.30
NR3C1 P04150 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
SCHEMBL7815731 0.75 KMT2A (0.33) ALDH1A1GSR
SCHEMBL6809265 0.71
SCHEMBL8340072 0.66 MAPT (0.40) ALDH1A1
SCHEMBL7855420 0.63 LMNA (0.32)
SCHEMBL6679925 0.63 LMNA (0.34)
SCHEMBL10781386 0.62 LMNA (0.33)
SCHEMBL29157412 0.61 ALOX5 (0.31)
SCHEMBL31338545 0.59 HTT (0.33)
SCHEMBL28411068 0.59
SCHEMBL31338542 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177193-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL)URACIL COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-06 EP disclosed
EP-1171427-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL) URACIL COMPOUNDS FROM UREA COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2002-01-16 EP disclosed
EP-1169308-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 1,3-OXAZIN-6-ONES AND URACILS BASF AKTIENGESELLSCHAFT (DE) 2002-01-09 EP disclosed
EP-1150962-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL)URACIL COMPOUNDS FROM CARBAMATE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2001-11-07 EP disclosed
WO-2000049004-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL) URACIL COMPOUNDS FROM UREA COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2000-08-24 WO disclosed
WO-2000049002-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 1,3-OXAZIN-6-ONES AND URACILS AMERICAN CYANAMID COMPANY (US) 2000-08-24 WO disclosed
WO-2000049003-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL)URACIL COMPOUNDS FROM CARBAMATE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2000-08-24 WO disclosed
WO-2000049016-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL)URACIL COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2000-08-24 WO disclosed
WO-1999014216-A1 SUBSTITUTED 3(-1,2-BENZISOTHIAZOL OR ISOXAZOL-5 YL)-SUBSTITUTED PYRIMIDINE AS HERBICIDES AMERICAN CYANAMID COMPANY (US) 1999-03-25 WO disclosed