SCHEMBL6981623

SCHEMBL6981623

NS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2-c2ccc(Cl)nc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.58
PTGS1 P23219 3/20 0.58
MAPK14 Q16539 2/20 0.50
RET P07949 1/20 0.45
PLA2G2A P14555 1/20 0.44
PLA2G4A P47712 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
CA2 P00918 2/20 0.43
CA1 P00915 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CA9 Q16790 1/20 0.41
DDR2 Q16832 1/20 0.40
NTRK1 P04629 1/20 0.40
PLK3 Q9H4B4 1/20 0.40

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
SCHEMBL6975754 0.89 PTGS2 (0.58) PTGS2PTGS1MAPK14RETPLA2G2A
SCHEMBL6978743 0.87 PTGS2 (0.50) PTGS2PTGS1MAPK14CA2CA1
SCHEMBL6976695 0.87 PTGS2 (0.53) PTGS2PTGS1MAPK14CA2CA1
SCHEMBL6978125 0.87 PTGS2 (0.64) PTGS2PTGS1MAPK14RETPLA2G2A
SCHEMBL6979775 0.87 PTGS2 (0.58) PTGS2PTGS1MAPK14RETPLA2G2A
SCHEMBL6974322 0.85 PTGS2 (0.67) PTGS2PTGS1MAPK14RETPLA2G2A
SCHEMBL6981008 0.84 L3MBTL1 (0.56) PTGS2PTGS1MAPK14PLA2G2APLA2G4A
SCHEMBL6981356 0.83 PTGS2 (0.72) PTGS2PTGS1MAPK14PLA2G2APLA2G4A
SCHEMBL6974430 0.83 PTGS2 (0.59) PTGS2PTGS1MAPK14PLA2G2APLA2G4A
SCHEMBL6971292 0.82 PTGS2 (0.65) PTGS2PTGS1MAPK14RETPLA2G2A

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