SCHEMBL6258728

SCHEMBL6258728

COc1ccc(-c2nn(CC(C)C)c(=O)c(C(=O)Nc3ccncc3)c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.44
HSP90AA1 P07900 2/20 0.44
ALOX15 P16050 1/20 0.44
RXFP1 Q9HBX9 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
ESR1 P03372 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
THRB P10828 1/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
HSP90AB1 P08238 1/20 0.40

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
SCHEMBL6258095 0.91 AURKA (0.49) PIK3CDRXFP1KDM4ETHRBLMNA
SCHEMBL6254976 0.86 KDM4E (0.41) KDM4EALDH1A1HPGDHTTLMNA
SCHEMBL6256484 0.82 KDM4E (0.43) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL6259201 0.81 KDM4E (0.43) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL6257629 0.81 POLB (0.56) KDM4EALDH1A1MEN1MAPTHPGD
SCHEMBL6254981 0.80 KDM4E (0.48) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL6260924 0.75 MEN1 (0.43) RXFP1KDM4EALDH1A1MEN1HPGD
SCHEMBL6256148 0.73 MEN1 (0.43) RXFP1KDM4EALDH1A1MEN1MAPT
SCHEMBL6260233 0.72 GRM2 (0.47) RXFP1KDM4EALDH1A1MEN1MAPT
SCHEMBL7730189 0.71 MEN1 (0.44) PIK3CDRXFP1KDM4EALDH1A1MEN1

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