SCHEMBL7017841

SCHEMBL7017841

CCOC(=O)C(C)c1ccc(-n2c(CC)nc3c(C)c([N+](=O)[O-])cnc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.35
HTT P42858 1/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 5/20 0.34
MEN1 O00255 3/20 0.34
POLB P06746 3/20 0.34
KMT2A Q03164 3/20 0.34
PABPC1 P11940 1/20 0.34
LMNA P02545 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 1/20 0.33

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
SCHEMBL27582757 0.80 ALDH1A1 (0.45) ALDH1A1L3MBTL1MEN1POLBKMT2A
SCHEMBL28008607 0.79 KDM4E (0.37) ALDH1A1HPGDMEN1POLBKMT2A
SCHEMBL1625243 0.79 ALDH1A1 (0.38) ALDH1A1L3MBTL1HTTHPGDMEN1
SCHEMBL28008635 0.76 MEN1 (0.44) MEN1POLBKMT2APABPC1
SCHEMBL7015251 0.75 HSD17B10 (0.37) ALDH1A1L3MBTL1GAAHPGDMAPT
SCHEMBL6385097 0.75 POLB (0.36) HTTHPGDMAPTMEN1POLB
SCHEMBL7016110 0.74
SCHEMBL7100074 0.74 NPC1 (0.42) ALDH1A1GAAMAPTMEN1POLB
SCHEMBL7018959 0.74 MEN1 (0.43) ALDH1A1GAAMAPTMEN1POLB
SCHEMBL28749639 0.73 MEN1 (0.36) ALDH1A1L3MBTL1MEN1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101967146-B Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents RAQUALIA PHARMA INC 2015-04-08 CN disclosed
CN-100579518-C Use of EP4 receptor ligands for the manufacture of a medicament for the treatment of IL-6 related disorders PFIZER 2010-01-13 CN disclosed
CN-101023946-A Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PFIZER (US) 2007-08-29 CN disclosed
CN-1658847-A Use of EP4 receptor ligands for the treatment of IL-6 related disorders PFIZER (US) 2005-08-24 CN disclosed
CN-1477960-A EPA receptor inhibitors to treat rheumatoid arthritis 2004-02-25 CN disclosed
EP-1326606-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2003-07-16 EP disclosed
WO-2002032422-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 WO disclosed