SCHEMBL6681832

SCHEMBL6681832

COc1ccc(-n2nc(OCC(F)(F)F)nc2-c2ccc(OCCCNC(N)=O)cc2)cn1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.57
PTGS2 P35354 4/20 0.57
MALT1 Q9UDY8 14/20 0.44
L3MBTL1 Q9Y468 1/20 0.38
P2RX7 Q99572 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
SCHEMBL6687179 0.91 PTGS2 (0.71) PTGS1PTGS2MALT1L3MBTL1
SCHEMBL6687455 0.90 PTGS2 (0.42) PTGS1PTGS2MALT1L3MBTL1P2RX7
SCHEMBL6681239 0.87 PTGS1 (0.64) PTGS1PTGS2MALT1
SCHEMBL6684505 0.87 PTGS1 (0.64) PTGS1PTGS2MALT1
SCHEMBL6681738 0.86 PTGS2 (0.58) PTGS1PTGS2MALT1
SCHEMBL6132303 0.84 PTGS2 (0.81) PTGS1PTGS2MALT1L3MBTL1
SCHEMBL5152341 0.82 PTGS2 (0.41) PTGS1PTGS2MALT1
SCHEMBL6682093 0.81 MALT1 (0.41) PTGS1PTGS2MALT1L3MBTL1
SCHEMBL6682869 0.81 PTGS1 (0.65) PTGS1PTGS2MALT1
SCHEMBL6687282 0.80 PTGS2 (0.53) PTGS1PTGS2MALT1L3MBTL1

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