SCHEMBL2768048

SCHEMBL2768048

O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)O)c1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
VCAM1 P19320 11/20 0.45
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
F2 P00734 2/20 0.42
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL30827119 1.00 TDP1 (0.58) TDP1CA1CA2MMP1MMP2
Water SCHEMBL2771683 0.98 TDP1 (0.56) TDP1CA1CA2MMP1MMP2
SCHEMBL11439519 0.84 HPGD (0.47) TDP1CA1CA2MMP1MMP2
SCHEMBL2768289 0.84 TDP1 (0.60) TDP1CA1CA2MMP1MMP2
SCHEMBL4603369 0.82 TDP1 (0.58) TDP1CA1CA2MMP1MMP2
SCHEMBL6690333 0.79 GPR35 (0.55) TDP1CA1CA2MMP1MMP2
SCHEMBL11502256 0.79 TDP1 (0.46) TDP1CA1CA2MMP1MMP2
SCHEMBL28213415 0.79 GPR35 (0.47) TDP1CA1CA2MMP1MMP2
SCHEMBL2768612 0.78 VCAM1 (0.60) TDP1VCAM1ALDH1A1
SCHEMBL9634727 0.78 CA1 (0.42) TDP1CA1CA2MMP1MMP2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115232102-B Preparation method and production device of lactide 中国科学院长春应用化学研究所 2024-02-13 CN claimed
CN-115232102-B Preparation method and production device of lactide 中国科学院长春应用化学研究所 2024-02-13 CN disclosed
CN-115232102-A Preparation method and production device of lactide 中国科学院长春应用化学研究所 2022-10-25 CN disclosed
EP-1272175-B1 N,N'-DIARYL GUANIDINES AS IL-8 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2010-04-21 EP disclosed
EP-1261336-B1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2007-02-07 EP disclosed
EP-1261336-B1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2007-02-07 EP disclosed
EP-1272175-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-08-31 EP disclosed
EP-1261329-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-08-17 EP disclosed
EP-1261336-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-12-15 EP disclosed
EP-1161232-B1 HYDROXY DIPHENYL UREA SULFONAMIDES AS IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-03-24 EP disclosed
EP-1272175-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-08 EP disclosed
US-6500863-B1 INTERLEUKIN BINDING INHIBITORS SUCH AS N-(2-HYDROXYL-3-AMINO SULFONYL-4-CHLOROPHENYL)-N'-(2-BROMOPHENYL)UREA, USED FOR PROPHYLAXIS OF CHEMOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION 2002-12-31 US disclosed
EP-1261336-A2 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-12-04 EP disclosed
EP-1261329-A2 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-12-04 EP disclosed
EP-1161232-A4 HYDROXY DIPHENYL UREA SULFONAMIDES AS IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-09-18 EP disclosed
EP-1161232-A1 HYDROXY DIPHENYL UREA SULFONAMIDES AS IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2001-12-12 EP disclosed
WO-2001072960-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-04 WO disclosed
WO-2001068033-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-20 WO disclosed
WO-2001068568-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-20 WO disclosed
WO-2000035442-A1 HYDROXY DIPHENYL UREA SULFONAMIDES AS IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-06-22 WO disclosed