SCHEMBL6978811

SCHEMBL6978811

NS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.59
PTGS2 P35354 3/20 0.59
DDR2 Q16832 1/20 0.49
RET P07949 2/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
CYP3A4 P08684 3/20 0.47
ALOX15 P16050 3/20 0.47
MAPK1 P28482 3/20 0.47
HSD17B10 Q99714 2/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FTO Q9C0B1 1/20 0.47
CA1 P00915 6/20 0.46
CA2 P00918 6/20 0.46
CA9 Q16790 6/20 0.46
CA12 O43570 5/20 0.46
TP53 P04637 3/20 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
SCHEMBL6982270 0.86 PTGS2 (0.59) PTGS1PTGS2DDR2RETMEN1
SCHEMBL6981356 0.82 PTGS2 (0.72) PTGS1PTGS2DDR2MEN1KMT2A
SCHEMBL29501080 0.82 KMT2A (0.65) DDR2RETMEN1KMT2ACYP3A4
SCHEMBL1534666 0.82 KMT2A (0.65) DDR2RETMEN1KMT2ACYP3A4
SCHEMBL6970840 0.82 PTGS2 (0.54) PTGS1PTGS2MEN1KMT2ACA1
SCHEMBL6981004 0.80 PTGS2 (0.85) PTGS1PTGS2
SCHEMBL6974322 0.79 PTGS2 (0.67) PTGS1PTGS2RETALDH1A1CA1
SCHEMBL6974513 0.79 PTGS2 (0.67) PTGS1PTGS2DDR2RETALDH1A1
SCHEMBL6981131 0.79 CYP3A4 (0.56) PTGS2MEN1KMT2ACYP3A4HSD17B10
SCHEMBL6978176 0.79 KDM4E (0.52) PTGS1PTGS2MEN1KMT2ACYP3A4

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