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SCHEMBL6848485

SCHEMBL6848485

COc1ccc(-c2nc(OC(C)C)nn2-c2ccc(NC(=O)CC(C)(C)C)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 12/20 0.59
▸ PTGS2 P35354 5/20 0.51
▸ PTGS1 P23219 4/20 0.51
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA7 P43166 1/20 0.43

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
SCHEMBL4032186 0.81 PTGS2 (0.76) MALT1PTGS2PTGS1
SCHEMBL6849045 0.79 MALT1 (0.62) MALT1
SCHEMBL3353893 0.74 PTGS2 (0.61) MALT1PTGS2PTGS1CA1CA2
SCHEMBL12125403 0.74 L3MBTL1 (0.65) CA1CA2CA7
SCHEMBL3356139 0.74 PTGS2 (0.60) PTGS2PTGS1CA1CA2CA4
SCHEMBL10972364 0.73 PTGS2 (0.70) MALT1PTGS2PTGS1CA1CA2
SCHEMBL1193845 0.70 PTGS2 (1.00) MALT1PTGS2PTGS1
SCHEMBL13499198 0.68 MALT1 (0.52) MALT1
SCHEMBL4026247 0.67 PTGS1 (0.76) MALT1PTGS2PTGS1
SCHEMBL6132234 0.67 PTGS2 (0.67) MALT1PTGS2PTGS1CA1CA2

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
WO-2011020849-A1 CYTOHESIN INHIBITORS RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITÄT (DE) 2011-02-24 — — WO disclosed
EP-2286808-A1 Cytohesin inhibitors Rheinische Friedrich-Wilhelms Universität (DE) 2011-02-23 — — EP disclosed