SCHEMBL6251002

SCHEMBL6251002

O=Cc1ccc(Oc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.62
VCAM1 P19320 1/20 0.59
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
MAPK1 P28482 2/20 0.55
HSP90AA1 P07900 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
LMNA P02545 4/20 0.55
MAPT P10636 5/20 0.50
PDE7A Q13946 1/20 0.50
ALDH1A1 P00352 2/20 0.49
S1PR4 O95977 1/20 0.49
TSHR P16473 1/20 0.49
ALDH5A1 P51649 1/20 0.48
ABAT P80404 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 2/20 0.44

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
SCHEMBL3654191 0.87 PDE7A (0.63) TTRVCAM1MEN1KMT2AMAPK1
SCHEMBL8100698 0.82 PLA2G4A (0.57) TTRMEN1KMT2AMAPK1HSP90AA1
SCHEMBL13220955 0.82 PDE7A (0.70) TTRVCAM1MEN1KMT2AMAPK1
SCHEMBL3928064 0.81 MAPT (0.74) TTRVCAM1MEN1KMT2AMAPK1
SCHEMBL11699501 0.81 LMNA (0.71) TTRVCAM1MEN1KMT2AMAPK1
SCHEMBL20855342 0.80 S1PR4 (0.73) TTRMEN1KMT2AMAPK1HSP90AA1
SCHEMBL1340557 0.80 HSPB1 (0.56) TTRMEN1KMT2AMAPK1HSP90AA1
SCHEMBL10387432 0.80 PDE7A (0.71) VCAM1MEN1KMT2AMAPK1HSP90AA1
SCHEMBL640965 0.80 HPGD (0.73) TTRMEN1KMT2AMAPK1HSP90AA1
SCHEMBL30392319 0.80 HPGD (0.73) TTRMEN1KMT2AMAPK1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1146905-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN Algos Pharmaceutical Corporation (US) 2001-10-24 EP claimed
WO-2000029022-A1 COX-2 INHIBITORS IN COMBINATION WITH CENTRALLY ACTING ANALGESICS ALGOS PHARMACEUTICAL CORPORATION (US) 2000-05-25 WO claimed
WO-2000029023-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN ALGOS PHARMACEUTICAL CORPORATION (US) 2000-05-25 WO claimed
WO-2005046650-A1 PHARMACEUTICAL FORMULATION CONTAINING MUSCLE RELAXANT AND COX-II INHIBITOR GLENMARK PHARMACEUTICALS LIMITED (US) 2005-05-26 WO disclosed
WO-2005044227-A1 TOPICAL PHARMACEUTICAL COMPOSITIONS GLENMARK PHARMACEUTICALS LIMITED (US) 2005-05-19 WO disclosed
US-20050100594-A1 Pharmaceutical formulation containing muscle relaxant and COX-II inhibitor GLENMARK PHARMACEUTICALS LIMITED (IN) 2005-05-12 US disclosed
US-20050096371-A1 Topical pharmaceutical compositions GLENMARK PHARMACEUTICALS LIMITED (IN) 2005-05-05 US disclosed
US-RE38103-E1 5-methanesulfonamido-1-indanones as an inhibitor of cyclooxygenase-2 MERCK FROSST CANADA & CO. (CA) 2003-04-29 US disclosed
EP-1146905-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN Algos Pharmaceutical Corporation (US) 2001-10-24 EP disclosed
EP-0848703-B1 DERIVATIVES OF BENZOSULPHONAMIDES AS INHIBITORS OF THE ENZYME CYCLO-OXYGENASE II NYCOMED AUSTRIA GMBH (AT) 2000-09-27 EP disclosed
WO-2000029022-A1 COX-2 INHIBITORS IN COMBINATION WITH CENTRALLY ACTING ANALGESICS ALGOS PHARMACEUTICAL CORPORATION (US) 2000-05-25 WO disclosed
WO-2000029023-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN ALGOS PHARMACEUTICAL CORPORATION (US) 2000-05-25 WO disclosed
US-6004948-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION NYCOMED AUSTRIA GMBH (AT) 1999-12-21 US disclosed
EP-0673366-B1 5-METHANESULFONAMIDO-1-INDANONES AS AN INHIBITOR OF CYCLOOXYGENASE-2 MERCK FROSST CANADA INC (CA) 1998-10-14 EP disclosed
US-5604260-A 5-methanesulfonamido-1-indanones as an inhibitor of cyclooxygenase-2 MERCK FROSST CANADA INC. (CA) 1997-02-18 US disclosed
EP-0673366-A1 5-METHANESULFONAMIDO-1-INDANONES AS AN INHIBITOR OF CYCLOOXYGENASE-2 MERCK FROSST CANADA INC. (CA) 1995-09-27 EP disclosed
WO-1994013635-A1 5-METHANESULFONAMIDO-1-INDANONES AS AN INHIBITOR OF CYCLOOXYGENASE-2 MERCK FROSST CANADA INC. (CA) 1994-06-23 WO disclosed