SCHEMBL4573006

SCHEMBL4573006

C=CCNC(=O)c1cccc2c1CN(C(=O)c1cc(Cl)c(O)cc1O)C2

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 15/20 0.55
HSP90AB1 P08238 5/20 0.55
TRAP1 Q12931 2/20 0.47
HPGD P15428 4/20 0.46
CYP1A2 P05177 2/20 0.46
HSP90B1 P14625 1/20 0.45
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL14193529 0.87 HSP90AA1 (0.55) HSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL14194368 0.80 HPGD (0.40) HSP90AA1HSP90AB1TRAP1HPGDCYP1A2
SCHEMBL14193833 0.79 HSP90AA1 (0.56) HSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL4573404 0.79 HSP90AA1 (0.67) HSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL4572951 0.79 HSP90AA1 (0.63) HSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL384744 0.75 HSP90AA1 (0.82) HSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL15896307 0.73 NAMPT (0.45) HPGDCYP1A2POLBALDH1A1
SCHEMBL14194420 0.71 HSP90AA1 (1.00) HSP90AA1HSP90AB1HPGDCYP1A2
SCHEMBL14193891 0.71 HSP90AA1 (1.00) HSP90AA1HSP90AB1HPGDCYP1A2
SCHEMBL1426117 0.71 HSP90AA1 (1.00) HSP90AA1HSP90AB1HPGDCYP1A2

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
WO-2008053319-A1 AMIDE RESORCINOL COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-05-08 WO disclosed
WO-2008053319-A1 AMIDE RESORCINOL COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-05-08 WO disclosed