SCHEMBL6977438

SCHEMBL6977438

COc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)oc3ccc(F)cc3c2=O)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
PTGS2 P35354 8/20 0.50
PTGS1 P23219 5/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
RCE1 Q9Y256 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
TAAR1 Q96RJ0 1/20 0.40
S1PR1 P21453 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPK14 Q16539 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 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
SCHEMBL6975319 0.92 CA1 (0.53) CA1CA2PTGS2PTGS1MEN1
SCHEMBL6978114 0.91 PTGS2 (0.51) PTGS2PTGS1MEN1KMT2AL3MBTL1
SCHEMBL6981008 0.88 L3MBTL1 (0.56) CA1CA2PTGS2PTGS1MEN1
SCHEMBL6979214 0.86 PTGS2 (0.55) CA1CA2PTGS2PTGS1MEN1
SCHEMBL6976695 0.85 PTGS2 (0.53) CA1CA2PTGS2PTGS1MEN1
SCHEMBL6976446 0.84 PTGS2 (0.69) PTGS2PTGS1MEN1KMT2ALMNA
SCHEMBL6969962 0.83 PTGS2 (0.48) CA1CA2PTGS2PTGS1MEN1
SCHEMBL6975423 0.82 PTGS2 (0.60) CA1CA2PTGS2PTGS1MAPK14
SCHEMBL6979993 0.82 PTGS2 (0.55) CA1CA2PTGS2PTGS1ALDH1A1
SCHEMBL6981716 0.81 PTGS2 (0.60) CA1CA2PTGS2PTGS1ALDH1A1

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
CN-1323301-A Diarylbenzopyran derivatives as cyclooxygenase-2 inhibitors PACIFIC CORP (KR) 2001-11-21 CN 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
CN-1323301-A Diarylbenzopyran derivatives as cyclooxygenase-2 inhibitors PACIFIC CORP (KR) 2001-11-21 CN disclosed