SCHEMBL6981239

SCHEMBL6981239

NS(=O)(=O)c1ccc(-c2oc3cc(F)ccc3c(=O)c2-c2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 11/20 0.52
PTGS2 P35354 11/20 0.52
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
TDO2 P48775 1/20 0.40
MAP2K7 O14733 1/20 0.40
MAP2K4 P45985 1/20 0.40
MAPK14 Q16539 2/20 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
SCHEMBL6979230 0.88 PTGS2 (0.65) PTGS1PTGS2MAOAMAOBTDO2
SCHEMBL6982972 0.86 PTGS2 (0.57) PTGS1PTGS2MAOAMAOBCA12
SCHEMBL6971292 0.86 PTGS2 (0.65) PTGS1PTGS2MAOAMAOBCA12
SCHEMBL6978743 0.85 PTGS2 (0.50) PTGS1PTGS2MAOAMAOBCA1
SCHEMBL6979302 0.83 PTGS2 (0.53) PTGS1PTGS2MAOAMAOBCA1
SCHEMBL6981848 0.81 MAPK14 (0.40) PTGS1PTGS2MAOBCA1CA2
SCHEMBL6971744 0.81 PTGS2 (0.63) PTGS1PTGS2MAPK14
SCHEMBL6978739 0.81 PTGS2 (0.63) PTGS1PTGS2CA1CA2MAPK14
SCHEMBL6972864 0.81 PTGS2 (0.59) PTGS1PTGS2TDO2MAPK14
SCHEMBL6981010 0.80 PTGS2 (0.52) PTGS1PTGS2MAOAMAOBCA12

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