SCHEMBL13330307

SCHEMBL13330307

CS(=O)(=O)c1ccccc1-c1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 11/20 0.69
HSP90AB1 P08238 3/20 0.62
F10 P00742 4/20 0.40
LRRK2 Q5S007 1/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ATR Q13535 1/20 0.36

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
SCHEMBL2333467 0.91 HSP90AA1 (0.71) HSP90AA1HSP90AB1F10ALOX5APFEN1
SCHEMBL2329851 0.91 HSP90AA1 (0.71) HSP90AA1HSP90AB1F10ALOX5APFEN1
SCHEMBL13144782 0.91 HSP90AA1 (0.71) HSP90AA1HSP90AB1F10KDM4EHTT
SCHEMBL2329817 0.90 HSP90AA1 (0.69) HSP90AA1HSP90AB1F10KDM4EHTT
SCHEMBL2511442 0.90 HSP90AA1 (0.66) HSP90AA1HSP90AB1F10ALOX5APFEN1
SCHEMBL12199666 0.90 HSP90AA1 (0.66) HSP90AA1HSP90AB1F10ALOX5APFEN1
SCHEMBL3097085 0.89 HSP90AA1 (0.63) HSP90AA1HSP90AB1ALOX5APFEN1
SCHEMBL2330286 0.89 HSP90AA1 (0.65) HSP90AA1HSP90AB1ALOX5APFEN1
SCHEMBL2512041 0.88 HSP90AA1 (0.64) HSP90AA1HSP90AB1F10ALOX5APFEN1
SCHEMBL2510038 0.87 HSP90AA1 (0.66) HSP90AA1HSP90AB1F10ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010066324-A1 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2010-06-17 WO disclosed