SCHEMBL6653308

SCHEMBL6653308

CC(C)c1cccc(-c2c(Cc3cccc(F)c3)c[nH]c(=O)c2Br)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
DAO P14920 4/20 0.38
APLNR P35414 1/20 0.35
FPR1 P21462 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6650193 0.83 DAO (0.43) PDE3BPDE3ADAO
SCHEMBL6648289 0.83 MAOB (0.43) PDE3BPDE3ADAO
SCHEMBL6647299 0.74 DAO (0.52) PDE3BPDE3ADAO
SCHEMBL5215190 0.70 DAO (0.49) PDE3BPDE3ADAOMEN1KMT2A
SCHEMBL6652310 0.68 MAPK14 (0.47) PDE3BPDE3ADAOKMT2AL3MBTL1
SCHEMBL6648037 0.68 THRA (0.41) PDE3BPDE3ADAO
SCHEMBL6471595 0.67 DAO (0.39) PDE3BPDE3ADAO
SCHEMBL4466645 0.67 MAPK14 (0.51) MEN1KMT2AL3MBTL1
SCHEMBL6652379 0.66 KMT2A (0.41) PDE3BPDE3ADAOKMT2A
SCHEMBL13119197 0.66 TAAR1 (0.53) ATML3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490064-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE Pharmacia Corporation (US) 2004-12-29 EP claimed
WO-2003068230-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORPORATION (US) 2003-08-21 WO claimed
EP-1490064-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE Pharmacia Corporation (US) 2004-12-29 EP disclosed
WO-2003068230-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORPORATION (US) 2003-08-21 WO disclosed