SCHEMBL6973002

SCHEMBL6973002

CS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2-c2cnccc2Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.55
MAPK14 Q16539 2/20 0.50
NTRK1 P04629 1/20 0.43
PLK3 Q9H4B4 1/20 0.43
PTGS1 P23219 3/20 0.42
ADORA3 P0DMS8 1/20 0.41
RET P07949 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
SCHEMBL6976350 0.87 PTGS2 (0.61) PTGS2MAPK14NTRK1PLK3PTGS1
SCHEMBL6979278 0.83 MAPK14 (0.71) PTGS2MAPK14NTRK1PLK3PTGS1
SCHEMBL6981218 0.83 PTGS2 (0.59) PTGS2MAPK14PTGS1
SCHEMBL6978798 0.82 PTGS2 (0.56) PTGS2MAPK14NTRK1PLK3PTGS1
SCHEMBL6979031 0.82 PTGS2 (0.61) PTGS2MAPK14NTRK1PLK3PTGS1
SCHEMBL6979226 0.81 PTGS2 (0.57) PTGS2MAPK14NTRK1PLK3PTGS1
SCHEMBL6976428 0.81 PTGS2 (0.57) PTGS2MAPK14NTRK1PLK3PTGS1
SCHEMBL6979358 0.80 PTGS2 (0.67) PTGS2MAPK14PTGS1ADORA3RET
SCHEMBL6975754 0.80 PTGS2 (0.58) PTGS2MAPK14NTRK1PLK3PTGS1
SCHEMBL6972219 0.79 PTGS2 (0.66) PTGS2MAPK14PTGS1ADORA3

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