SCHEMBL6977376

SCHEMBL6977376

NS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2-c2ccc(F)c(F)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.67
PTGS1 P23219 5/20 0.67
MAPK14 Q16539 3/20 0.52
PLA2G2A P14555 1/20 0.48
PLA2G4A P47712 1/20 0.48
RET P07949 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA4 P22748 1/20 0.43
MAOB P27338 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
CA9 Q16790 1/20 0.42
DDR2 Q16832 1/20 0.42
NTRK1 P04629 1/20 0.42
PLK3 Q9H4B4 1/20 0.42

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
SCHEMBL6971744 0.90 PTGS2 (0.63) PTGS2PTGS1MAPK14PLA2G2APLA2G4A
SCHEMBL6978739 0.90 PTGS2 (0.63) PTGS2PTGS1MAPK14PLA2G2APLA2G4A
SCHEMBL6976779 0.88 PTGS2 (0.67) PTGS2PTGS1MAPK14PLA2G2APLA2G4A
SCHEMBL6981004 0.88 PTGS2 (0.85) PTGS2PTGS1MAPK14PLA2G2APLA2G4A
SCHEMBL6980058 0.87 PTGS2 (0.69) PTGS2PTGS1MAPK14PLA2G2APLA2G4A
SCHEMBL6968474 0.87 PTGS2 (0.72) PTGS2PTGS1MAPK14PLA2G2APLA2G4A
SCHEMBL6981356 0.85 PTGS2 (0.72) PTGS2PTGS1MAPK14PLA2G2APLA2G4A
SCHEMBL6978221 0.85 PTGS2 (0.59) PTGS2PTGS1MAPK14PLA2G2APLA2G4A
SCHEMBL6978136 0.85 PTGS2 (0.68) PTGS2PTGS1MAPK14PLA2G2APLA2G4A
SCHEMBL6974322 0.84 PTGS2 (0.67) PTGS2PTGS1MAPK14PLA2G2APLA2G4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1105384-B1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-03-26 EP claimed
US-6340694-B1 Diarylbenzopyran derivatives as cyclooxygenase-2 inhibitors PACIFIC CORPORATION (KR) 2002-01-22 US claimed
EP-1105384-A1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-13 EP claimed
WO-2000010993-A1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-03-02 WO claimed
EP-1105384-B1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-03-26 EP disclosed
US-6340694-B1 Diarylbenzopyran derivatives as cyclooxygenase-2 inhibitors PACIFIC CORPORATION (KR) 2002-01-22 US disclosed
EP-1105384-A1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-13 EP disclosed
WO-2000010993-A1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-03-02 WO disclosed