SCHEMBL6258737

SCHEMBL6258737

COc1ccc(-c2nn(CC3CC3)c(=O)c(CCl)c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 3/20 0.47
NPBWR1 P48145 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
SLC34A1 Q06495 5/20 0.44
AXL P30530 1/20 0.43
TYRO3 Q06418 1/20 0.43
MERTK Q12866 1/20 0.43
PSMB5 P28074 2/20 0.41
PTGS2 P35354 2/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
SRC P12931 1/20 0.38
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 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
SCHEMBL6257302 0.89 PTGIR (0.49) PTGIRNPBWR1L3MBTL1SLC34A1AXL
SCHEMBL6256148 0.81 MEN1 (0.43) NPBWR1PSMB5KDM4EALDH1A1HPGD
SCHEMBL6254280 0.81 PTGIR (0.51) PTGIRL3MBTL1SLC34A1AXLTYRO3
SCHEMBL6258726 0.81 PTGIR (0.53) PTGIRNPBWR1L3MBTL1SLC34A1AXL
SCHEMBL6254733 0.80 PTGIR (0.50) PTGIRNPBWR1L3MBTL1SLC34A1AXL
SCHEMBL6260118 0.78 PTGIR (0.48) PTGIRNPBWR1L3MBTL1SLC34A1AXL
SCHEMBL6254804 0.78 POLB (0.51) PTGIRL3MBTL1SLC34A1SRCKCNH2
SCHEMBL6254702 0.77 PTGIR (0.47) PTGIRNPBWR1L3MBTL1SLC34A1PSMB5
SCHEMBL6255253 0.76 PTGIR (0.46) PTGIRNPBWR1L3MBTL1AXLTYRO3
SCHEMBL6257567 0.76 PTGIR (0.46) PTGIRNPBWR1L3MBTL1SLC34A1PSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1156039-B1 PYRIDAZIN-3-ONE DERIVATIVES AND MEDICINES CONTAINING THE SAME KOWA CO (JP) 2005-10-05 EP disclosed
US-6680316-B1 INTERLEUKIN INHIBITORS; AUTOIMMUNE, RHEUMATIC, AND GASTROINTESTINAL DISORDERS; OSTEOPOROSIS; ANTIINFLAMMATORY, ANTIISCHEMIC, AND ANTIARTHRITIC AGENTS KOWA CO., LTD. (JP) 2004-01-20 US disclosed
EP-1156039-A1 PYRIDAZIN-3-ONE DERIVATIVES AND MEDICINES CONTAINING THE SAME Kowa Co., Ltd. (JP) 2001-11-21 EP disclosed