SCHEMBL6979993

SCHEMBL6979993

NS(=O)(=O)c1ccc(-c2oc3ccc(F)cc3c(=O)c2-c2cccnc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.55
PTGS1 P23219 4/20 0.55
CA2 P00918 3/20 0.50
CA9 Q16790 3/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
MAPK14 Q16539 2/20 0.47
DYRK1A Q13627 1/20 0.44
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL6981010 0.92 PTGS2 (0.52) PTGS2PTGS1CA2CA9CA12
SCHEMBL6972917 0.90 PTGS2 (0.53) PTGS2PTGS1CA2CA9CA12
SCHEMBL6980194 0.90 PTGS2 (0.55) PTGS2PTGS1MAPK14
SCHEMBL6974430 0.87 PTGS2 (0.59) PTGS2PTGS1CA2CA9CA12
SCHEMBL6980615 0.87 PTGS2 (0.68) PTGS2PTGS1CA2CA9CA12
SCHEMBL6979214 0.86 PTGS2 (0.55) PTGS2PTGS1CA2CA9CA1
SCHEMBL6981287 0.86 PTGS2 (0.60) PTGS2PTGS1CA2CA9CA12
SCHEMBL6976446 0.85 PTGS2 (0.69) PTGS2PTGS1MAPK14MAOAMAOB
SCHEMBL6976695 0.84 PTGS2 (0.53) PTGS2PTGS1CA2CA9CA1
SCHEMBL6981504 0.84 PTGS2 (0.50) PTGS2PTGS1CA2CA9CA12

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