SCHEMBL6257629

SCHEMBL6257629

CCOC(=O)c1c(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)nn(CC(C)C)c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
GAA P10253 1/20 0.56
TP53 P04637 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
PDE4D Q08499 1/20 0.47
KMT2A Q03164 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTT P42858 2/20 0.44
STAT1 P42224 1/20 0.44
MAPK10 P53779 1/20 0.43
THRB P10828 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
NPBWR1 P48145 1/20 0.43

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
SCHEMBL6256484 0.87 KDM4E (0.43) POLBGAATP53SMN1; SMN2ALDH1A1
SCHEMBL6259201 0.86 KDM4E (0.43) POLBGAATP53SMN1; SMN2ALDH1A1
SCHEMBL6256516 0.85 POLB (0.55) POLBGAATP53SMN1; SMN2ALDH1A1
SCHEMBL6254976 0.84 KDM4E (0.41) TP53SMN1; SMN2ALDH1A1HTTKDM4E
SCHEMBL6254981 0.84 KDM4E (0.48) POLBGAATP53SMN1; SMN2ALDH1A1
SCHEMBL6254804 0.83 POLB (0.51) POLBGAATP53SMN1; SMN2ALDH1A1
SCHEMBL6257634 0.83 MAPT (0.59) POLBGAATP53SMN1; SMN2ALDH1A1
SCHEMBL6258095 0.82 AURKA (0.49) TP53SMN1; SMN2THRBKDM4E
SCHEMBL6258728 0.81 PIK3CD (0.44) TP53ALDH1A1MAPTKMT2AMEN1
SCHEMBL6260924 0.79 MEN1 (0.43) GAASMN1; SMN2ALDH1A1KMT2AMEN1

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