SCHEMBL13285174

SCHEMBL13285174

CC(C)(C)OC(=O)NCCOc1cnc(-c2cccc(Cn3nc(-c4cccc(N)c4)ccc3=O)c2)nc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 18/20 0.55
▸ NQO2 P16083 1/20 0.47
▸ HDAC1 Q13547 2/20 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
SCHEMBL12240074 0.89 MET (0.68) METNQO2
SCHEMBL12239820 0.88 MET (0.57) METNQO2HDAC1
SCHEMBL13180922 0.85 MET (0.64) METNQO2
SCHEMBL12240062 0.83 MET (0.64) METNQO2
SCHEMBL12240059 0.79 MET (0.58) METNQO2
SCHEMBL12239830 0.79 MET (0.61) METNQO2HDAC1
SCHEMBL13152358 0.79 MET (0.56) METNQO2
SCHEMBL12240064 0.78 MET (0.58) METNQO2
SCHEMBL13152922 0.78 MET (0.53) METNQO2
SCHEMBL12462942 0.78 MET (0.64) MET

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-2010072296-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2010-07-01 — — WO disclosed
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