SCHEMBL6687312

SCHEMBL6687312

COc1ccc(-n2nc(C(=O)N(C)OC)nc2-c2ccc(OCCNS(C)(=O)=O)cc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
PTGS2 P35354 3/20 0.37
MALT1 Q9UDY8 1/20 0.37
ROCK2 O75116 2/20 0.35
MAP4K4 O95819 2/20 0.35
PIM1 P11309 2/20 0.35
PRKACA P17612 2/20 0.35
CDK2 P24941 2/20 0.35
GSK3B P49841 2/20 0.35
HIPK2 Q9H2X6 2/20 0.35
DYRK3 O43781 1/20 0.35
PRKD3 O94806 1/20 0.35
CDK1 P06493 1/20 0.35
ROS1 P08922 1/20 0.35
RPS6KB1 P23443 1/20 0.35
AKT1 P31749 1/20 0.35
CLK2 P49760 1/20 0.35
IRAK1 P51617 1/20 0.35
RPS6KA3 P51812 1/20 0.35
PRKX P51817 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
SCHEMBL6685914 0.89 L3MBTL1 (0.41) L3MBTL1PTGS2MALT1ALDH1A1OXTR
SCHEMBL6691333 0.88 L3MBTL1 (0.43) L3MBTL1PTGS2MALT1ALDH1A1OXTR
Hydrochloric Acid SCHEMBL6686163 0.86 L3MBTL1 (0.42) L3MBTL1PTGS2MALT1OXTR
SCHEMBL6687149 0.85 L3MBTL1 (0.43) L3MBTL1PTGS2MALT1MKNK2ALDH1A1
SCHEMBL6686978 0.82 MEN1 (0.46) L3MBTL1PTGS2ALDH1A1OXTRMEN1
SCHEMBL6686275 0.78 PTGS2 (0.43) PTGS2MALT1ROCK2MAP4K4PIM1
SCHEMBL5150854 0.77 MALT1 (0.44) PTGS2MALT1
SCHEMBL5148769 0.77 MALT1 (0.41) PTGS2MALT1ROCK2MAP4K4PIM1
SCHEMBL6681738 0.76 PTGS2 (0.58) PTGS2MALT1
SCHEMBL5148798 0.74 MALT1 (0.44) PTGS2MALT1ROCK2MAP4K4PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004060367-A1 IMIDAZOLE AND TRIAZOLE DERIVATIVES USEFUL AS SELECTIVE COX-1 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-22 WO disclosed