SCHEMBL13611183

SCHEMBL13611183

COC(=O)Cc1ccc(-n2c(C)cc(O)c(Br)c2=O)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GFER P55789 1/20 0.44
HTR7 P34969 1/20 0.43
HSP90AB1 P08238 1/20 0.40
MAPK14 Q16539 5/20 0.39
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
TP53 P04637 1/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL13610554 0.82 HSP90AB1 (0.47) GAAALDH1A1GFERHTR7HSP90AB1
SCHEMBL20861827 0.80 MYC (0.50) GAAALDH1A1GFERHTR7HSP90AB1
SCHEMBL4382362 0.80 MAPK14 (0.46) ALDH1A1HTR7MAPK14MAPTHPGD
SCHEMBL2707694 0.72 ALDH1A1 (0.56) ALDH1A1MAPK14MAPTHPGDSMN1; SMN2
SCHEMBL2127019 0.72 GAA (0.68) GAAALDH1A1GFERHSP90AB1MAPT
SCHEMBL30096935 0.72 GAA (0.68) GAAALDH1A1GFERHSP90AB1MAPT
SCHEMBL14712149 0.71 ALDH1A1 (0.53) GAAALDH1A1GFERHSP90AB1MAPT
SCHEMBL27758375 0.69 MYC (0.38) ALDH1A1MAPK14L3MBTL1KMT2AROCK2
SCHEMBL334348 0.69 GAA (0.63) GAAALDH1A1GFERHSP90AB1MAPT
SCHEMBL1786183 0.69 NPC1 (0.63) GAAALDH1A1GFERHTR7HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
EP-1490064-B1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORP (US) 2009-11-18 EP disclosed