SCHEMBL6255253

SCHEMBL6255253

COc1ccc(-c2nn(CC3CCCC3)c(=O)c(C(N)=O)c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 4/20 0.46
SRC P12931 1/20 0.46
KCNH2 Q12809 1/20 0.46
NPBWR1 P48145 1/20 0.46
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PSMB5 P28074 2/20 0.41
PSMB1 P20618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AXL P30530 1/20 0.41
TYRO3 Q06418 1/20 0.41
MERTK Q12866 1/20 0.41
BACE1 P56817 1/20 0.41
POLB P06746 1/20 0.40
BTK Q06187 1/20 0.40
HPGD P15428 1/20 0.40
TP53 P04637 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL6276770 0.99 PTGIR (0.46) PTGIRSRCKCNH2NPBWR1KDM4E
SCHEMBL6254733 0.96 PTGIR (0.50) PTGIRSRCKCNH2NPBWR1KDM4E
SCHEMBL6258726 0.86 PTGIR (0.53) PTGIRSRCKCNH2NPBWR1KDM4E
SCHEMBL6260962 0.83 TP53 (0.53) SRCKDM4EALDH1A1POLBHPGD
SCHEMBL6260118 0.83 PTGIR (0.48) PTGIRSRCKCNH2NPBWR1KDM4E
SCHEMBL6254804 0.82 POLB (0.51) PTGIRSRCKCNH2KDM4EALDH1A1
SCHEMBL6257620 0.81 TP53 (0.44) KDM4EALDH1A1POLBBTKHPGD
SCHEMBL6259201 0.81 KDM4E (0.43) SRCKDM4EALDH1A1PSMB5PSMB1
SCHEMBL6254702 0.80 PTGIR (0.47) PTGIRNPBWR1KDM4EALDH1A1NPC1
SCHEMBL6257619 0.80 TP53 (0.43) KDM4EALDH1A1POLBHPGDTP53

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