SCHEMBL6976428

SCHEMBL6976428

CS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2-c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.57
RET P07949 1/20 0.47
PTGS1 P23219 2/20 0.46
NTRK1 P04629 1/20 0.45
PLK3 Q9H4B4 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MAPK14 Q16539 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
SCHEMBL6976350 0.89 PTGS2 (0.61) PTGS2RETPTGS1NTRK1PLK3
SCHEMBL6979358 0.86 PTGS2 (0.67) PTGS2RETPTGS1CA1CA2
SCHEMBL6981487 0.85 PTGS2 (0.62) PTGS2RETPTGS1CA1CA2
SCHEMBL6976262 0.84 PTGS2 (0.59) PTGS2RETPTGS1MAPK14
SCHEMBL6979031 0.83 PTGS2 (0.61) PTGS2RETPTGS1NTRK1PLK3
SCHEMBL6972219 0.83 PTGS2 (0.66) PTGS2PTGS1MAPK14
SCHEMBL6981445 0.83 PTGS2 (0.63) PTGS2PTGS1MAPK14
SCHEMBL6974299 0.81 PTGS2 (0.67) PTGS2PTGS1NTRK1PLK3MAPK14
SCHEMBL6972161 0.81 PTGS2 (0.58) PTGS2RETPTGS1NTRK1PLK3
SCHEMBL6973002 0.81 PTGS2 (0.55) PTGS2RETPTGS1NTRK1PLK3

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 6 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-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