SCHEMBL6982216

SCHEMBL6982216

CSc1ccccc1-c1c(-c2ccc(S(N)(=O)=O)cc2)oc2ccccc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.58
PTGS1 P23219 3/20 0.58
NTRK1 P04629 1/20 0.49
PLK3 Q9H4B4 1/20 0.49
MAPK14 Q16539 1/20 0.42
CA12 O43570 4/20 0.42
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA9 Q16790 4/20 0.42
PLA2G2A P14555 1/20 0.41
PLA2G4A P47712 1/20 0.41
DDR2 Q16832 1/20 0.40
RET P07949 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
KDR P35968 1/20 0.40
HTT P42858 1/20 0.40
ABCG2 Q9UNQ0 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
SCHEMBL6971198 0.85 PTGS2 (0.61) PTGS2PTGS1NTRK1PLK3MAPK14
SCHEMBL6978284 0.84 PTGS2 (0.63) PTGS2PTGS1NTRK1PLK3MAPK14
SCHEMBL6976710 0.83 PTGS2 (0.64) PTGS2PTGS1NTRK1PLK3CA1
SCHEMBL6977676 0.83 PTGS2 (0.61) PTGS2PTGS1NTRK1PLK3MAPK14
SCHEMBL6978136 0.83 PTGS2 (0.68) PTGS2PTGS1NTRK1PLK3MAPK14
SCHEMBL6981356 0.81 PTGS2 (0.72) PTGS2PTGS1NTRK1PLK3MAPK14
SCHEMBL6974513 0.80 PTGS2 (0.67) PTGS2PTGS1NTRK1PLK3MAPK14
SCHEMBL6976304 0.80 PTGS2 (0.64) PTGS2PTGS1NTRK1PLK3MAPK14
SCHEMBL6981004 0.79 PTGS2 (0.85) PTGS2PTGS1MAPK14PLA2G2APLA2G4A
SCHEMBL6974322 0.78 PTGS2 (0.67) PTGS2PTGS1MAPK14CA1CA2

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 4 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