SCHEMBL5729856

SCHEMBL5729856

CCOS(=O)(=O)c1ccc(C)c(-c2nc(-c3ccncc3)sc2C)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 14/20 0.41
DBF4 Q9UBU7 14/20 0.41
MAPK14 Q16539 1/20 0.41
PTGS2 P35354 1/20 0.39
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL5721981 0.88 CDC7 (0.43) CDC7DBF4PTGS2RARARARB
SCHEMBL27607456 0.84 RARA (0.40) CDC7DBF4PTGS2RARARARB
SCHEMBL5750632 0.82 LMNA (0.43) IDO1
SCHEMBL27607507 0.80 RARA (0.41) CDC7DBF4PTGS2RARARARB
SCHEMBL28750823 0.75 LMNA (0.33)
SCHEMBL5731004 0.74 PTPN1 (0.41) MAPK14
SCHEMBL28428668 0.70 MEN1 (0.42) CDC7DBF4MAPK14
SCHEMBL21834496 0.69 CYP1A2 (0.44) PTGS2
SCHEMBL3813607 0.69 PTGS2 (0.47) MAPK14PTGS2
SCHEMBL6986435 0.69 TARBP2 (0.46)

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-1401434-B1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) LILLY CO ELI (US) 2006-11-15 EP disclosed
CN-1578659-A Modulators of peroxisome proliferator activated receptors (ppar) LILLY CO ELI (US) 2005-02-09 CN disclosed
EP-1401434-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) ELI LILLY AND COMPANY (US) 2004-03-31 EP disclosed
WO-2002100403-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) ELI LILLY AND COMPANY (US) 2002-12-19 WO disclosed