SCHEMBL6981828

SCHEMBL6981828

CS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2-c2ncco2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.58
MAPK14 Q16539 5/20 0.47
PTGS1 P23219 1/20 0.44
PLA2G2A P14555 1/20 0.41
PLA2G4A P47712 1/20 0.41
NTRK1 P04629 1/20 0.40
PLK3 Q9H4B4 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
RET P07949 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
KDR P35968 1/20 0.40
HTT P42858 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39

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
SCHEMBL6979939 0.83 PTGS2 (0.61) PTGS2MAPK14PTGS1PLA2G2APLA2G4A
SCHEMBL6979278 0.81 MAPK14 (0.71) PTGS2MAPK14PTGS1PLA2G2APLA2G4A
SCHEMBL6974845 0.81 PTGS2 (0.72) PTGS2MAPK14PTGS1PLA2G2APLA2G4A
SCHEMBL6968870 0.81 PTGS2 (0.61) PTGS2MAPK14PTGS1PLA2G2APLA2G4A
SCHEMBL6977480 0.79 PTGS2 (0.57) PTGS2MAPK14PTGS1PLA2G2APLA2G4A
SCHEMBL6979226 0.79 PTGS2 (0.57) PTGS2MAPK14PTGS1PLA2G2APLA2G4A
SCHEMBL6977093 0.79 PTGS2 (0.85) PTGS2MAPK14PTGS1PLA2G2APLA2G4A
SCHEMBL6973940 0.79 PTGS2 (0.69) PTGS2MAPK14PTGS1PLA2G2APLA2G4A
SCHEMBL6975908 0.79 PTGS2 (0.59) PTGS2MAPK14PTGS1PLA2G2APLA2G4A
SCHEMBL6981218 0.79 PTGS2 (0.59) PTGS2MAPK14PTGS1PLA2G2APLA2G4A

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