SCHEMBL6975829

SCHEMBL6975829

NS(=O)(=O)c1ccc(-c2oc3ccc(O)cc3c(=O)c2-c2ccc(F)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.63
PTGS1 P23219 5/20 0.63
KDM4E B2RXH2 2/20 0.52
HSD17B10 Q99714 2/20 0.52
MEN1 O00255 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPK14 Q16539 1/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
ABCB1 P08183 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
DHFR P00374 1/20 0.43
CYP1A2 P05177 1/20 0.43
KCNH2 Q12809 1/20 0.43
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43

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
SCHEMBL6976446 0.90 PTGS2 (0.69) PTGS2PTGS1MEN1KMT2AMAPK14
SCHEMBL6974285 0.88 PTGS2 (0.63) PTGS2PTGS1KDM4EHSD17B10MEN1
SCHEMBL6980615 0.85 PTGS2 (0.68) PTGS2PTGS1MEN1KMT2AMAPK14
SCHEMBL6975423 0.84 PTGS2 (0.60) PTGS2PTGS1MAPK14
SCHEMBL6976803 0.84 PTGS2 (0.60) PTGS2PTGS1MAPTMAPK14MAOA
SCHEMBL6981716 0.83 PTGS2 (0.60) PTGS2PTGS1KDM4EHSD17B10CYP3A4
SCHEMBL6979230 0.83 PTGS2 (0.65) PTGS2PTGS1MAPK14MAOAMAOB
SCHEMBL6981004 0.83 PTGS2 (0.85) PTGS2PTGS1MAPK14MAOAMAOB
SCHEMBL6981287 0.81 PTGS2 (0.60) PTGS2PTGS1MEN1KMT2AMAPK14
SCHEMBL6979214 0.80 PTGS2 (0.55) PTGS2PTGS1MEN1KMT2AMAPK14

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-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