SCHEMBL6981008

SCHEMBL6981008

COc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)oc3ccccc3c2=O)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
PTGS2 P35354 7/20 0.55
PTGS1 P23219 3/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
MAPK14 Q16539 1/20 0.45
ABCG2 Q9UNQ0 2/20 0.45
KDM4E B2RXH2 2/20 0.43
CYP3A4 P08684 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PLA2G2A P14555 1/20 0.42
PLA2G4A P47712 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
SCHEMBL6978281 0.91 L3MBTL1 (0.57) L3MBTL1PTGS2PTGS1MEN1KMT2A
SCHEMBL6975319 0.88 CA1 (0.53) L3MBTL1PTGS2PTGS1CA1CA2
SCHEMBL6977438 0.88 CA1 (0.53) L3MBTL1PTGS2PTGS1CA1CA2
SCHEMBL6979775 0.86 PTGS2 (0.58) PTGS2PTGS1CA1CA2ALDH1A1
SCHEMBL6978125 0.84 PTGS2 (0.64) PTGS2PTGS1MAPK14PLA2G2APLA2G4A
SCHEMBL6981623 0.84 PTGS2 (0.58) PTGS2PTGS1CA1CA2ALDH1A1
SCHEMBL6971778 0.84 PTGS2 (0.63) L3MBTL1PTGS2PTGS1CA1CA2
SCHEMBL6981356 0.81 PTGS2 (0.72) L3MBTL1PTGS2PTGS1CA1CA2
SCHEMBL6974430 0.81 PTGS2 (0.59) PTGS2PTGS1CA1CA2MEN1
SCHEMBL6976710 0.81 PTGS2 (0.64) L3MBTL1PTGS2PTGS1CA1CA2

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