SCHEMBL6979031

SCHEMBL6979031

CS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2-c2cccc(Cl)c2Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.61
NTRK1 P04629 1/20 0.49
PLK3 Q9H4B4 1/20 0.49
PTGS1 P23219 2/20 0.46
ADORA3 P0DMS8 1/20 0.46
MAPK14 Q16539 2/20 0.45
NMUR2 Q9GZQ4 1/20 0.45
PLA2G2A P14555 1/20 0.44
PLA2G4A P47712 1/20 0.44
RET P07949 1/20 0.43

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
SCHEMBL6976350 0.92 PTGS2 (0.61) PTGS2NTRK1PLK3PTGS1ADORA3
SCHEMBL6979207 0.88 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL6976311 0.85 PTGS2 (0.61) PTGS2NTRK1PLK3PTGS1MAPK14
SCHEMBL6979358 0.85 PTGS2 (0.67) PTGS2PTGS1ADORA3MAPK14PLA2G2A
SCHEMBL6976487 0.84 PTGS2 (0.62) PTGS2NTRK1PLK3PTGS1MAPK14
SCHEMBL6976428 0.83 PTGS2 (0.57) PTGS2NTRK1PLK3PTGS1MAPK14
SCHEMBL6974845 0.83 PTGS2 (0.72) PTGS2PTGS1ADORA3MAPK14PLA2G2A
SCHEMBL6980060 0.83 PTGS2 (0.61) PTGS2NTRK1PLK3PTGS1MAPK14
SCHEMBL6972243 0.83 PTGS2 (0.68) PTGS2NTRK1PLK3PTGS1MAPK14
SCHEMBL6978798 0.83 PTGS2 (0.56) PTGS2NTRK1PLK3PTGS1ADORA3

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 8 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
US-6340694-B1 Diarylbenzopyran derivatives as cyclooxygenase-2 inhibitors PACIFIC CORPORATION (KR) 2002-01-22 US 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