SCHEMBL6978136

SCHEMBL6978136

NS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2-c2ccccc2F)cc1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.68
PTGS1 P23219 5/20 0.68
NTRK1 P04629 1/20 0.52
PLK3 Q9H4B4 1/20 0.52
NMUR2 Q9GZQ4 1/20 0.52
MAPK14 Q16539 2/20 0.50
PLA2G2A P14555 1/20 0.44
PLA2G4A P47712 1/20 0.44
DDR2 Q16832 1/20 0.43
RET P07949 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL6976304 0.92 PTGS2 (0.64) PTGS2PTGS1NTRK1PLK3NMUR2
SCHEMBL6972864 0.91 PTGS2 (0.59) PTGS2PTGS1NTRK1PLK3NMUR2
SCHEMBL6976415 0.90 PTGS2 (0.67) PTGS2PTGS1NTRK1PLK3NMUR2
SCHEMBL6972243 0.88 PTGS2 (0.68) PTGS2PTGS1NTRK1PLK3NMUR2
SCHEMBL6973308 0.87 PTGS2 (0.63) PTGS2PTGS1NMUR2MAPK14CA12
SCHEMBL6981004 0.86 PTGS2 (0.85) PTGS2PTGS1MAPK14PLA2G2APLA2G4A
SCHEMBL6977676 0.86 PTGS2 (0.61) PTGS2PTGS1NTRK1PLK3NMUR2
SCHEMBL6971198 0.86 PTGS2 (0.61) PTGS2PTGS1NTRK1PLK3MAPK14
SCHEMBL6977376 0.85 PTGS2 (0.67) PTGS2PTGS1NTRK1PLK3MAPK14
SCHEMBL6976710 0.84 PTGS2 (0.64) PTGS2PTGS1NTRK1PLK3CA1

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