SCHEMBL6970442

SCHEMBL6970442

CS(=O)(=O)c1ccc(-c2oc3cccc(O)c3c(=O)c2-c2ccc(F)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.63
PTGS1 P23219 3/20 0.51
PGAM1 P18669 1/20 0.47
MAPK14 Q16539 1/20 0.46
AR P10275 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HSP90AA1 P07900 1/20 0.45
ABCB1 P08183 1/20 0.44

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
SCHEMBL6978883 0.85 PTGS2 (0.62) PTGS2PTGS1MAPK14AR
SCHEMBL6977093 0.83 PTGS2 (0.85) PTGS2PTGS1MAPK14
SCHEMBL6974285 0.79 PTGS2 (0.63) PTGS2PTGS1MAPK14MEN1KMT2A
SCHEMBL6976542 0.78 PTGS2 (0.69) PTGS2PTGS1MAPK14
SCHEMBL6978875 0.77 PTGS2 (0.67) PTGS2PTGS1MAPK14ARMEN1
SCHEMBL6973175 0.76 PTGS2 (0.69) PTGS2PTGS1MAPK14
SCHEMBL6976093 0.75 PTGS2 (0.65) PTGS2PTGS1MAPK14TP53MAPT
SCHEMBL6974187 0.75 PTGS2 (0.72) PTGS2PTGS1MAPK14
SCHEMBL6980060 0.75 PTGS2 (0.61) PTGS2PTGS1MAPK14ARMEN1
SCHEMBL6974845 0.75 PTGS2 (0.72) PTGS2PTGS1MAPK14ARMEN1

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
CN-1323301-A Diarylbenzopyran derivatives as cyclooxygenase-2 inhibitors PACIFIC CORP (KR) 2001-11-21 CN 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