SCHEMBL1127223

SCHEMBL1127223

CC(C)COC(=O)N1CCC(c2nc(-c3cccc(N)c3F)c(-c3ccnc(Cl)n3)s2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 3/20 0.43
BRAF P15056 5/20 0.42
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
MAPK14 Q16539 1/20 0.36
HRH1 P35367 1/20 0.36
SLC6A15 Q9H2J7 1/20 0.36
EGFR P00533 2/20 0.35
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL1127220 0.87 NR1I2 (0.45) NR1I2BRAF
SCHEMBL1127227 0.85 HRH1 (0.35) NR1I2BRAFMAPK14HRH1SLC6A15
SCHEMBL1872195 0.85 NR1I2 (0.48) NR1I2BRAFEGFR
SCHEMBL1127181 0.85 NR1I2 (0.53) NR1I2BRAF
SCHEMBL1127440 0.85 NR1I2 (0.44) NR1I2BRAFLMNATP53MAPT
SCHEMBL31111746 0.83 NR1I2 (0.43) NR1I2BRAF
SCHEMBL1127251 0.83 NR1I2 (0.49) NR1I2BRAF
SCHEMBL1127381 0.83 NR1I2 (0.65) NR1I2BRAF
SCHEMBL1866858 0.80 BRAF (0.46) NR1I2BRAFLMNATP53MAPT
SCHEMBL31111482 0.80 NR1I2 (0.41) NR1I2BRAF

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-2282636-A2 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS GlaxoSmithKline LLC (US) 2011-02-16 EP disclosed
WO-2009137391-A2 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-11-12 WO disclosed