SCHEMBL6978221

SCHEMBL6978221

NS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2-c2cccc(Cl)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.59
PTGS1 P23219 4/20 0.59
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
PLA2G2A P14555 1/20 0.50
PLA2G4A P47712 1/20 0.50
RET P07949 1/20 0.49
ADORA3 P0DMS8 1/20 0.47
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRE P78334 1/20 0.46

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
SCHEMBL6976262 0.89 PTGS2 (0.59) PTGS2PTGS1PLA2G2APLA2G4ARET
SCHEMBL6974322 0.88 PTGS2 (0.67) PTGS2PTGS1CA1CA2PLA2G2A
SCHEMBL6971292 0.87 PTGS2 (0.65) PTGS2PTGS1CA1CA2PLA2G2A
SCHEMBL6981356 0.87 PTGS2 (0.72) PTGS2PTGS1CA1CA2PLA2G2A
SCHEMBL6971744 0.87 PTGS2 (0.63) PTGS2PTGS1PLA2G2APLA2G4ARET
SCHEMBL6980058 0.86 PTGS2 (0.69) PTGS2PTGS1PLA2G2APLA2G4AGABRP
SCHEMBL6971026 0.86 PTGS2 (0.59) PTGS2PTGS1CA1CA2PLA2G2A
SCHEMBL6977376 0.85 PTGS2 (0.67) PTGS2PTGS1CA1CA2PLA2G2A
SCHEMBL6978739 0.84 PTGS2 (0.63) PTGS2PTGS1CA1CA2PLA2G2A
SCHEMBL6974530 0.84 PTGS2 (0.60) PTGS2PTGS1CA1CA2PLA2G2A

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
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
EP-1280784-A2 BIOLOGICALLY ACTIVE 4H-BENZO 1,4]OXAZIN-3-ONES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-02-05 EP disclosed
US-6340694-B1 Diarylbenzopyran derivatives as cyclooxygenase-2 inhibitors PACIFIC CORPORATION (KR) 2002-01-22 US disclosed
WO-2001087862-A2 BIOLOGICALLY ACTIVE 4H-BENZO[1,4]OXAZIN-3-ONES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-22 WO 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