SCHEMBL6976695

SCHEMBL6976695

NS(=O)(=O)c1ccc(-c2oc3ccc(F)cc3c(=O)c2-c2ccc(Cl)nc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.53
PTGS1 P23219 6/20 0.53
MAPK14 Q16539 2/20 0.46
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA5A P35218 1/20 0.40
CA9 Q16790 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
MAP2K7 O14733 1/20 0.39
MAP2K4 P45985 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
KIT P10721 1/20 0.38

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
SCHEMBL6978743 0.92 PTGS2 (0.50) PTGS2PTGS1MAPK14MAOAMAOB
SCHEMBL6970999 0.89 PTGS2 (0.53) PTGS2PTGS1MAPK14
SCHEMBL6979214 0.89 PTGS2 (0.55) PTGS2PTGS1MAPK14MAOAMAOB
SCHEMBL6981623 0.87 PTGS2 (0.58) PTGS2PTGS1MAPK14CA1CA2
SCHEMBL6976803 0.87 PTGS2 (0.60) PTGS2PTGS1MAPK14MAOAMAOB
SCHEMBL6976446 0.86 PTGS2 (0.69) PTGS2PTGS1MAPK14MAOAMAOB
SCHEMBL6977438 0.85 CA1 (0.53) PTGS2PTGS1MAPK14MAOAMAOB
SCHEMBL6979993 0.84 PTGS2 (0.55) PTGS2PTGS1MAPK14MAOAMAOB
SCHEMBL6980615 0.83 PTGS2 (0.68) PTGS2PTGS1MAPK14CA1CA2
SCHEMBL6981287 0.82 PTGS2 (0.60) PTGS2PTGS1MAPK14MAOAMAOB

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