SCHEMBL13994335

SCHEMBL13994335

C=C(Nc1cccc(Cn2nc(-c3cccc(NC(=O)CCCN)c3)ccc2=O)c1)OCC

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 6/20 0.57
▸ MAPT P10636 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HDAC1 Q13547 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ KDM4E B2RXH2 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
SCHEMBL13994337 0.96 MET (0.59) METMAPTTP53HDAC1USP2
SCHEMBL13247393 0.92 MET (0.68) METHDAC1
SCHEMBL13994523 0.89 MET (0.57) MET
SCHEMBL13247395 0.87 MET (0.71) METMAPTTP53HDAC1
SCHEMBL13994592 0.84 MET (0.61) MET
SCHEMBL13994632 0.84 MET (0.61) METMAPT
SCHEMBL13994577 0.83 MET (0.55) METHDAC1
SCHEMBL13247403 0.83 MET (0.73) METMAPTTP53USP2PKM
SCHEMBL15417145 0.83 MET (0.54) METHDAC1
SCHEMBL13994272 0.82 MET (0.62) METMAPTTP53KDM4E

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-2008145243-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2008-12-04 — — WO disclosed
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