SCHEMBL6974322

SCHEMBL6974322

NS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.67
PTGS1 P23219 4/20 0.67
RET P07949 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
MAPK14 Q16539 2/20 0.52
PLA2G2A P14555 1/20 0.51
PLA2G4A P47712 1/20 0.51
ALDH1A1 P00352 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47

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
SCHEMBL6981356 0.91 PTGS2 (0.72) PTGS2PTGS1CA1CA2MAPK14
SCHEMBL6981004 0.89 PTGS2 (0.85) PTGS2PTGS1MAPK14PLA2G2APLA2G4A
SCHEMBL6978221 0.88 PTGS2 (0.59) PTGS2PTGS1RETCA1CA2
SCHEMBL6979358 0.88 PTGS2 (0.67) PTGS2PTGS1RETCA1CA2
SCHEMBL6974513 0.88 PTGS2 (0.67) PTGS2PTGS1RETCA1CA2
SCHEMBL6971292 0.87 PTGS2 (0.65) PTGS2PTGS1RETCA1CA2
SCHEMBL6982606 0.86 PTGS2 (0.62) PTGS2PTGS1RETCA1CA2
SCHEMBL6976315 0.86 MAPK14 (0.71) PTGS2PTGS1CA1CA2MAPK14
SCHEMBL6971744 0.86 PTGS2 (0.63) PTGS2PTGS1RETMAPK14PLA2G2A
SCHEMBL6977676 0.85 PTGS2 (0.61) PTGS2PTGS1RETCA1CA2

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