SCHEMBL6981719

SCHEMBL6981719

COc1ccc2oc(-c3ccccc3S(N)(=O)=O)c(-c3ccc(F)cc3)c(=O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 3/20 0.48
MAPT P10636 2/20 0.48
TSHR P16473 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA1 P00915 6/20 0.47
CA2 P00918 6/20 0.47
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46

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
SCHEMBL6981716 0.83 PTGS2 (0.60) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL6978178 0.82 KDM4E (0.50) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL6980918 0.78 PTGS2 (0.61) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL6976602 0.75 PTGS2 (0.57) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL6971778 0.71 PTGS2 (0.63) ALDH1A1KDM4EHPGDMAPTHSD17B10
Hydrochloric Acid SCHEMBL5797690 0.70 PTGS2 (0.45) CA1CA2CA12CA9PTGS1
SCHEMBL6976446 0.70 PTGS2 (0.69) MAOAPTGS1PTGS2LMNAMAOB
SCHEMBL6980615 0.70 PTGS2 (0.68) CA1CA2CA12CA9PTGS1
SCHEMBL8661361 0.70 MAPT (0.49) ALDH1A1HPGDMAPTTSHRPTGS1
SCHEMBL30894679 0.70 ALDH1A1 (0.74) ALDH1A1KDM4EHPGDMAPTTSHR

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 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