SCHEMBL6981356

SCHEMBL6981356

NS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2-c2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.72
PTGS1 P23219 3/20 0.72
PLA2G2A P14555 1/20 0.61
PLA2G4A P47712 1/20 0.61
MAPK14 Q16539 1/20 0.55
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
DDR2 Q16832 1/20 0.55
CA12 O43570 2/20 0.51
CA9 Q16790 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
ABCB1 P08183 1/20 0.51
CYP3A4 P08684 1/20 0.51
CALM1 P0DP23 1/20 0.51
AR P10275 1/20 0.51
PKM P14618 1/20 0.51
ALOX15 P16050 1/20 0.51

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
SCHEMBL6981004 0.92 PTGS2 (0.85) PTGS2PTGS1PLA2G2APLA2G4AMAPK14
SCHEMBL6974513 0.91 PTGS2 (0.67) PTGS2PTGS1PLA2G2APLA2G4AMAPK14
SCHEMBL6974322 0.91 PTGS2 (0.67) PTGS2PTGS1PLA2G2APLA2G4AMAPK14
SCHEMBL6976315 0.90 MAPK14 (0.71) PTGS2PTGS1PLA2G2APLA2G4AMAPK14
SCHEMBL6978284 0.88 PTGS2 (0.63) PTGS2PTGS1PLA2G2APLA2G4AMAPK14
SCHEMBL6971778 0.88 PTGS2 (0.63) PTGS2PTGS1MAPK14CA1CA2
SCHEMBL6971026 0.87 PTGS2 (0.59) PTGS2PTGS1PLA2G2APLA2G4AMAPK14
SCHEMBL6974430 0.87 PTGS2 (0.59) PTGS2PTGS1PLA2G2APLA2G4AMAPK14
SCHEMBL6978221 0.87 PTGS2 (0.59) PTGS2PTGS1PLA2G2APLA2G4AMAPK14
SCHEMBL6980058 0.87 PTGS2 (0.69) PTGS2PTGS1PLA2G2APLA2G4AMAPK14

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 10 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
CN-1323301-A Diarylbenzopyran derivatives as cyclooxygenase-2 inhibitors PACIFIC CORP (KR) 2001-11-21 CN 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
CN-1323301-A Diarylbenzopyran derivatives as cyclooxygenase-2 inhibitors PACIFIC CORP (KR) 2001-11-21 CN 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