SCHEMBL6258726

SCHEMBL6258726

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 7/20 0.53
L3MBTL1 Q9Y468 1/20 0.46
AXL P30530 1/20 0.43
TYRO3 Q06418 1/20 0.43
MERTK Q12866 1/20 0.43
PSMB5 P28074 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
SRC P12931 1/20 0.42
KCNH2 Q12809 1/20 0.42
SLC34A1 Q06495 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGDR Q13258 1/20 0.42
NPBWR1 P48145 1/20 0.41

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
SCHEMBL6254733 0.90 PTGIR (0.50) PTGIRL3MBTL1AXLTYRO3MERTK
SCHEMBL6260118 0.88 PTGIR (0.48) PTGIRL3MBTL1AXLTYRO3MERTK
SCHEMBL6254804 0.87 POLB (0.51) PTGIRL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL6255253 0.86 PTGIR (0.46) PTGIRL3MBTL1AXLTYRO3MERTK
SCHEMBL6276770 0.85 PTGIR (0.46) PTGIRL3MBTL1AXLTYRO3MERTK
SCHEMBL6257134 0.84 PTGIR (0.50) PTGIRL3MBTL1AXLTYRO3MERTK
SCHEMBL6257302 0.83 PTGIR (0.49) PTGIRL3MBTL1AXLTYRO3MERTK
SCHEMBL6256484 0.82 KDM4E (0.43) L3MBTL1PSMB5KDM4EALDH1A1HPGD
SCHEMBL6258294 0.81 EDNRB (0.53) L3MBTL1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6258737 0.81 PTGIR (0.47) PTGIRL3MBTL1AXLTYRO3MERTK

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