SCHEMBL7029240

SCHEMBL7029240

CCCS(=O)(=O)Nc1cc(-c2c(C(F)(F)F)n(C)c(=O)[nH]c2=O)c(F)cc1C(N)=S

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.35
BRD4 O60885 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 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
SCHEMBL7029561 0.95 BRD4 (0.37) BRD4
SCHEMBL7022860 0.89 BRD4 (0.35) BRD4
SCHEMBL8761410 0.77 BRAF (0.34) BRAFCYP3A4CYP2C9CYP2C19ALOX5AP
SCHEMBL7261353 0.76 PGR (0.45) BRD4SMN1; SMN2ALOX5APFEN1
SCHEMBL8113949 0.76 PGR (0.31) BRD4MAPT
SCHEMBL6700257 0.72 TP53 (0.33) BRAFCYP3A4CYP2C9CYP2C19TP53
SCHEMBL8592597 0.72 NOTUM (0.35) GAA
SCHEMBL8893381 0.70 PGR (0.39) BRD4SMN1; SMN2
SCHEMBL7691127 0.70 PGR (0.33)
SCHEMBL8560520 0.67 MEN1 (0.34) GAASMN1; SMN2

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-1278413-A2 N-ARYL-URACILE-BASED HERBICIDES Bayer CropScience AG (DE) 2003-01-29 EP disclosed
WO-2001039597-A2 N-ARYL-URACILE-BASED HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-06-07 WO disclosed