SCHEMBL6260233

SCHEMBL6260233

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.47
HTT P42858 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
RXFP1 Q9HBX9 2/20 0.44
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
POLB P06746 2/20 0.43
ADORA1 P30542 3/20 0.43
HPGD P15428 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ADORA2A P29274 1/20 0.43
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL6258394 0.87 ADORA1 (0.46) HTTNPSR1RXFP1PPARGNCOA2
SCHEMBL6254289 0.85 GRIA2 (0.46) GRM2HTTNPSR1RXFP1PPARG
SCHEMBL6259120 0.84 POLB (0.48) GRM2HTTNPSR1RXFP1PPARG
SCHEMBL6256001 0.83 GRIA2 (0.44) GRM2HTTNPSR1RXFP1PPARG
SCHEMBL6255367 0.83 CYP2C9 (0.52) HTTNPSR1POLBADORA1HPGD
SCHEMBL6254280 0.82 PTGIR (0.51) GRM2HTTNPSR1RXFP1L3MBTL1
SCHEMBL6254702 0.80 PTGIR (0.47) GRM2HTTNPSR1RXFP1L3MBTL1
SCHEMBL6256148 0.80 MEN1 (0.43) RXFP1POLBADORA1HPGDKMT2A
SCHEMBL6260924 0.80 MEN1 (0.43) HTTRXFP1HPGDKMT2AMEN1
SCHEMBL6257567 0.79 PTGIR (0.46) GRM2HTTNPSR1RXFP1L3MBTL1

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