SCHEMBL5007635

SCHEMBL5007635

O=C(O)C(Nc1c(F)cccc1Cl)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 3/20 0.41
CXCL8 P10145 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ABCB11 O95342 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
PPARG P37231 1/20 0.40
NR1I3 Q14994 1/20 0.40
MAPK1 P28482 1/20 0.39
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 1/20 0.38
CA1 P00915 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
SCHEMBL360635 0.89 CXCL8 (0.45) GAAKMT2ACXCL8ALDH1A1ABCB11
SCHEMBL7576115 0.89 KMT2A (0.46) GAAKMT2AALDH1A1MAPK1LMNA
SCHEMBL11271011 0.87 CXCL8 (0.44) GAAKMT2ACXCL8ALDH1A1ABCB11
SCHEMBL6809250 0.87 CXCL8 (0.44) GAAKMT2ACXCL8ALDH1A1ABCB11
SCHEMBL3132378 0.86 PTGS2 (0.48) GAAKMT2AABCB11PTGS1PTGS2
SCHEMBL27660511 0.85 PTGS2 (0.47) GAAKMT2AABCB11PTGS1PTGS2
SCHEMBL28355542 0.83 FPR2 (0.42) HTTKMT2ACXCL8ALDH1A1ABCB11
SCHEMBL27577407 0.80 HTT (0.44) GAAHTTATMNPSR1TDP1
SCHEMBL27562422 0.78 MEN1 (0.41) GAAKMT2ACXCL8ALDH1A1ABCB11
Trolamine SCHEMBL10993885 0.77 CXCL8 (0.37) GAAHTTNPSR1KMT2ACXCL8

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100406008-C Pharmaceutical composition comprising lumiracoxib NOVARTIS AG (CH) 2008-07-30 CN claimed
CN-1455691-A Pharmaceutical composition NOVARTIS AG (CH) 2003-11-12 CN claimed
CN-104000818-B tuberous sclerosis treatment 诺瓦提斯公司 2017-11-21 CN disclosed
EP-3171876-A1 COMBINATION THERAPY Novartis AG (CH) 2017-05-31 EP disclosed
WO-2016011956-A1 COMBINATION THERAPY NOVARTIS AG (CH) 2016-01-28 WO disclosed
CN-100490797-C Pharmaceutical composition NOVARTIS AG (CH) 2009-05-27 CN disclosed
US-20080287543-A1 Pharmaceutical composition comprising 5-methyl-2 (2'-chloro-6'-fluoroanillino) phen ylacetic acid DANNENFELSER ROSE-MARIE 2008-11-20 US disclosed
CN-1283240-C Pharmaceutical use of COX-2 inhibitors in angiogenesis-mediated ocular disorders NOVARTIS AG (CH) 2006-11-08 CN disclosed
CN-1726030-A Combinations of valsartan with cox-2 inhibitors NOVARTIS AG (CH) 2006-01-25 CN disclosed
CN-1620288-A Pharmaceutical use of COX-2 inhibitors in angiogenesis-mediated ocular disorders NOVARTIS AG (CH) 2005-05-25 CN disclosed
CN-1455691-A Pharmaceutical composition NOVARTIS AG (CH) 2003-11-12 CN disclosed
EP-1331972-A2 PHARMACEUTICAL COMPOSITIONS Novartis AG (CH) 2003-08-06 EP disclosed
EP-1242069-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2002-09-25 EP disclosed
WO-2002020090-A2 PHARMACEUTICAL COMPOSITIONS NOVARTIS AG (CH) 2002-03-14 WO disclosed
WO-2001003684-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2001-01-18 WO disclosed