SCHEMBL6974513

SCHEMBL6974513

Cc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)oc3ccccc3c2=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.67
PTGS1 P23219 3/20 0.67
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
RET P07949 1/20 0.56
TSHR P16473 1/20 0.56
ALOX12 P18054 1/20 0.56
KDR P35968 1/20 0.56
HTT P42858 1/20 0.56
MAPK14 Q16539 1/20 0.52
PLA2G2A P14555 1/20 0.51
PLA2G4A P47712 1/20 0.51
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL6981356 0.91 PTGS2 (0.72) PTGS2PTGS1LMNATP53MAPK14
SCHEMBL6973940 0.89 PTGS2 (0.69) PTGS2PTGS1LMNATP53RET
SCHEMBL6981004 0.89 PTGS2 (0.85) PTGS2PTGS1MAPK14PLA2G2APLA2G4A
SCHEMBL6971026 0.88 PTGS2 (0.59) PTGS2PTGS1LMNATP53RET
SCHEMBL6974322 0.88 PTGS2 (0.67) PTGS2PTGS1RETMAPK14PLA2G2A
SCHEMBL6971778 0.87 PTGS2 (0.63) PTGS2PTGS1MAPK14ALDH1A1KDM4E
SCHEMBL6978284 0.87 PTGS2 (0.63) PTGS2PTGS1LMNATP53RET
SCHEMBL6976315 0.86 MAPK14 (0.71) PTGS2PTGS1MAPK14PLA2G2APLA2G4A
SCHEMBL6971198 0.85 PTGS2 (0.61) PTGS2PTGS1LMNATP53RET
SCHEMBL6968474 0.85 PTGS2 (0.72) PTGS2PTGS1MAPK14PLA2G2APLA2G4A

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