SCHEMBL6974430

SCHEMBL6974430

NS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2-c2cccnc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.59
PTGS1 P23219 3/20 0.59
CA2 P00918 3/20 0.54
CA9 Q16790 3/20 0.54
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
MAPK14 Q16539 2/20 0.54
PLA2G2A P14555 1/20 0.47
PLA2G4A P47712 1/20 0.47
DDR2 Q16832 1/20 0.44
DYRK1A Q13627 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
ABCB1 P08183 1/20 0.41
CYP3A4 P08684 1/20 0.41
CALM1 P0DP23 1/20 0.41
AR P10275 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL6981218 0.89 PTGS2 (0.59) PTGS2PTGS1MAPK14PLA2G2APLA2G4A
SCHEMBL6980759 0.88 PTGS2 (0.55) PTGS2PTGS1CA2CA9CA12
SCHEMBL6976315 0.87 MAPK14 (0.71) PTGS2PTGS1CA2CA9CA12
SCHEMBL6981010 0.87 PTGS2 (0.52) PTGS2PTGS1CA2CA9CA12
SCHEMBL6979993 0.87 PTGS2 (0.55) PTGS2PTGS1CA2CA9CA12
SCHEMBL6981356 0.87 PTGS2 (0.72) PTGS2PTGS1CA2CA9CA12
SCHEMBL6979775 0.85 PTGS2 (0.58) PTGS2PTGS1CA2CA9CA12
SCHEMBL6978125 0.83 PTGS2 (0.64) PTGS2PTGS1MAPK14PLA2G2APLA2G4A
SCHEMBL6981623 0.83 PTGS2 (0.58) PTGS2PTGS1CA2CA9CA1
SCHEMBL6981004 0.82 PTGS2 (0.85) 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