SCHEMBL6982606

SCHEMBL6982606

NS(=O)(=O)c1ccc(-c2oc3ccccc3c(=S)c2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.62
PTGS1 P23219 4/20 0.62
RET P07949 1/20 0.49
CA2 P00918 4/20 0.46
CA1 P00915 3/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
CA9 Q16790 3/20 0.44
CA12 O43570 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
ENPP3 O14638 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6976289 0.91 PTGS2 (0.67) PTGS2PTGS1CA2CA1MAOA
SCHEMBL6974186 0.88 PTGS2 (0.81) PTGS2PTGS1MAOAMAOB
SCHEMBL6981954 0.88 PTGS2 (0.62) PTGS2PTGS1RETCA2CA1
SCHEMBL6974322 0.86 PTGS2 (0.67) PTGS2PTGS1RETCA2CA1
SCHEMBL6980759 0.81 PTGS2 (0.55) PTGS2PTGS1CA2CA1MAOA
SCHEMBL6973308 0.81 PTGS2 (0.63) PTGS2PTGS1CA2CA1CA9
SCHEMBL6982238 0.79 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL6981356 0.77 PTGS2 (0.72) PTGS2PTGS1CA2CA1CA9
SCHEMBL6976650 0.77 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL6970812 0.77 PTGS2 (0.64) PTGS2PTGS1RETMAOB

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