SCHEMBL6980759

SCHEMBL6980759

NS(=O)(=O)c1ccc(-c2oc3ccccc3c(=S)c2-c2cccnc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.55
PTGS1 P23219 3/20 0.55
CA2 P00918 5/20 0.53
CA9 Q16790 4/20 0.53
CA1 P00915 4/20 0.53
CA12 O43570 2/20 0.53
DYRK1A Q13627 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MAPK14 Q16539 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
NCOA3 Q9Y6Q9 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
SCHEMBL6968843 0.89 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL6974430 0.88 PTGS2 (0.59) PTGS2PTGS1CA2CA9CA1
SCHEMBL6976289 0.87 PTGS2 (0.67) PTGS2PTGS1CA2CA9CA1
SCHEMBL6972917 0.86 PTGS2 (0.53) PTGS2PTGS1CA2CA9CA1
SCHEMBL6981504 0.86 PTGS2 (0.50) PTGS2PTGS1CA2CA9CA1
SCHEMBL6982606 0.81 PTGS2 (0.62) PTGS2PTGS1CA2CA9CA1
SCHEMBL6974186 0.81 PTGS2 (0.81) PTGS2PTGS1MAOAMAOBMAPK14
SCHEMBL6979993 0.78 PTGS2 (0.55) PTGS2PTGS1CA2CA9CA1
SCHEMBL6973308 0.77 PTGS2 (0.63) PTGS2PTGS1CA2CA9CA1
SCHEMBL6981218 0.76 PTGS2 (0.59) PTGS2PTGS1MAPK14

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