SCHEMBL7029561

SCHEMBL7029561

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

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.37
PGR P06401 5/20 0.35
AR P10275 1/20 0.31
MRGPRX1 Q96LB2 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
SCHEMBL7029240 0.95 BRAF (0.35) BRD4
SCHEMBL7022860 0.91 BRD4 (0.35) BRD4
SCHEMBL7261353 0.81 PGR (0.45) BRD4PGRAR
SCHEMBL8113949 0.77 PGR (0.31) BRD4PGR
SCHEMBL7691127 0.75 PGR (0.33) PGR
SCHEMBL8592597 0.73 NOTUM (0.35)
SCHEMBL8893381 0.71 PGR (0.39) BRD4PGRAR
SCHEMBL8761410 0.71 BRAF (0.34)
SCHEMBL39236 0.70 DHODH (0.43)
SCHEMBL6695602 0.70 BRD4 (0.32) BRD4PGR

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 4 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
EP-0888314-A1 PROCESS FOR PRODUCING SUBSTITUTED AROMATIC THIOCARBOXYLIC ACID AMIDES BAYER AG (DE) 1999-01-07 EP disclosed
WO-1997033876-A1 PROCESS FOR PRODUCING SUBSTITUTED AROMATIC THIOCARBOXYLIC ACID AMIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-09-18 WO disclosed