SCHEMBL4585245

SCHEMBL4585245

CCC(=O)N1CCC(c2nc(-c3ccc([S+](C)[O-])cc3)c(-c3ccnc([S+](C)[O-])n3)[nH]2)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 6/20 0.40
MAPK14 Q16539 6/20 0.40
MAPK13 O15264 4/20 0.40
MAPK12 P53778 4/20 0.40
TLR9 Q9NR96 2/20 0.36
TLR8 Q9NR97 2/20 0.36
TLR7 Q9NYK1 2/20 0.36
HTR2B P41595 2/20 0.35
RAF1 P04049 1/20 0.35
BRAF P15056 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
SCHEMBL4897620 0.86 MAPK13 (0.38) MAPK11MAPK14MAPK13MAPK12RAF1
SCHEMBL8554729 0.79 MAPK13 (0.43) MAPK11MAPK14MAPK13MAPK12
SCHEMBL4920703 0.79 MAPK14 (0.51) MAPK11MAPK14MAPK13MAPK12RAF1
SCHEMBL4603572 0.69 BRAF (0.42) BRAF
SCHEMBL5566132 0.68 MAPK14 (0.49) MAPK11MAPK14MAPK13MAPK12RAF1
SCHEMBL4585911 0.65 MAPK14 (0.51) MAPK11MAPK14MAPK13MAPK12RAF1
SCHEMBL5815240 0.65 MAPK14 (0.49) MAPK14
SCHEMBL27907139 0.65 FAAH (0.62)
SCHEMBL5817719 0.64 NOS3 (0.41) MAPK14
SCHEMBL8549534 0.63 MAPK14 (0.50) MAPK11MAPK14MAPK13MAPK12RAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539121-A4 METHODS OF PROMOTING OSTEOGENESIS SCIOS INC (US) 2008-08-13 EP disclosed
EP-1583535-A4 METHODS FOR TREATING DIABETES SCIOS INC (US) 2008-03-19 EP disclosed
EP-1583535-A2 METHODS FOR TREATING DIABETES SCIOS INC. (US) 2005-10-12 EP disclosed
EP-1539121-A2 METHODS OF PROMOTING OSTEOGENESIS SCIOS INC. (US) 2005-06-15 EP disclosed
WO-2004053107-A2 METHODS FOR TREATING DIABETES SCIOS INC. (US) 2004-06-24 WO disclosed
WO-2004019873-A2 METHODS OF PROMOTING OSTEOGENESIS SCIOS INC. (US) 2004-03-11 WO disclosed