SCHEMBL6974530

SCHEMBL6974530

COc1cccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)oc3ccccc3c2=O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.60
PTGS1 P23219 3/20 0.60
KDM4E B2RXH2 4/20 0.57
CYP3A4 P08684 4/20 0.57
MAPT P10636 3/20 0.57
HPGD P15428 3/20 0.57
MEN1 O00255 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C9 P11712 2/20 0.57
TSHR P16473 2/20 0.57
CYP2C19 P33261 2/20 0.57
KMT2A Q03164 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
TP53 P04637 1/20 0.57
ALOX12 P18054 1/20 0.57
MAPK1 P28482 1/20 0.57
ABCG2 Q9UNQ0 2/20 0.51
CA2 P00918 4/20 0.49
CA9 Q16790 3/20 0.49
ALDH1A1 P00352 3/20 0.49

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
SCHEMBL6972141 0.90 PTGS2 (0.60) PTGS2PTGS1KDM4ECYP3A4MAPT
SCHEMBL6971778 0.89 PTGS2 (0.63) PTGS2PTGS1KDM4ECYP3A4MAPT
SCHEMBL6971026 0.86 PTGS2 (0.59) PTGS2PTGS1TSHRTP53ALOX12
SCHEMBL6981356 0.84 PTGS2 (0.72) PTGS2PTGS1KDM4ECYP3A4MEN1
SCHEMBL6980058 0.84 PTGS2 (0.69) PTGS2PTGS1PLA2G2APLA2G4A
SCHEMBL6978221 0.84 PTGS2 (0.59) PTGS2PTGS1CA2CA1PLA2G2A
SCHEMBL6976710 0.81 PTGS2 (0.64) PTGS2PTGS1KDM4ECYP3A4MAPT
SCHEMBL6974513 0.81 PTGS2 (0.67) PTGS2PTGS1KDM4EHPGDCYP2C9
SCHEMBL6977376 0.80 PTGS2 (0.67) PTGS2PTGS1CA2CA9CA1
SCHEMBL6971292 0.80 PTGS2 (0.65) PTGS2PTGS1CA2CA9CA1

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