SCHEMBL6972864

SCHEMBL6972864

NS(=O)(=O)c1ccc(-c2oc3cc(F)ccc3c(=O)c2-c2ccccc2F)cc1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.59
PTGS1 P23219 8/20 0.59
TDO2 P48775 1/20 0.44
MAPK14 Q16539 1/20 0.43
NMUR2 Q9GZQ4 1/20 0.41
NTRK1 P04629 1/20 0.41
PLK3 Q9H4B4 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
SCHEMBL6978136 0.91 PTGS2 (0.68) PTGS2PTGS1MAPK14NMUR2NTRK1
SCHEMBL6976415 0.88 PTGS2 (0.67) PTGS2PTGS1MAPK14NMUR2NTRK1
SCHEMBL6979230 0.87 PTGS2 (0.65) PTGS2PTGS1TDO2MAPK14
SCHEMBL6982972 0.85 PTGS2 (0.57) PTGS2PTGS1TDO2MAPK14
SCHEMBL6976304 0.83 PTGS2 (0.64) PTGS2PTGS1MAPK14NMUR2NTRK1
SCHEMBL6979302 0.82 PTGS2 (0.53) PTGS2PTGS1TDO2MAPK14
SCHEMBL6975420 0.81 PTGS2 (0.58) PTGS2PTGS1MAPK14
SCHEMBL6980093 0.81 PTGS2 (0.43) PTGS2PTGS1MAPK14NMUR2NTRK1
SCHEMBL6981239 0.81 PTGS1 (0.52) PTGS2PTGS1TDO2MAPK14
SCHEMBL6981010 0.81 PTGS2 (0.52) PTGS2PTGS1MAPK14

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