SCHEMBL6254702

SCHEMBL6254702

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.47
SLC34A1 Q06495 2/20 0.47
NPBWR1 P48145 1/20 0.47
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM1A O60341 1/20 0.42
PSMB5 P28074 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PSMB1 P20618 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
GRM2 Q14416 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
SCHEMBL6257567 0.99 PTGIR (0.46) PTGIRSLC34A1NPBWR1ALDH1A1KDM4E
SCHEMBL6254280 0.96 PTGIR (0.51) PTGIRSLC34A1ALDH1A1KDM4EHPGD
SCHEMBL6258394 0.83 ADORA1 (0.46) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL6254289 0.81 GRIA2 (0.46) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL6260233 0.80 GRM2 (0.47) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL6255253 0.80 PTGIR (0.46) PTGIRNPBWR1ALDH1A1KDM4EHPGD
SCHEMBL6276770 0.79 PTGIR (0.46) PTGIRNPBWR1ALDH1A1KDM4EHPGD
SCHEMBL6256001 0.79 GRIA2 (0.44) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL6255367 0.79 CYP2C9 (0.52) NPBWR1ALDH1A1KDM4EHPGDMAPT
SCHEMBL6258737 0.77 PTGIR (0.47) PTGIRSLC34A1NPBWR1ALDH1A1KDM4E

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