SCHEMBL13994271

SCHEMBL13994271

C=C(Nc1cccc(Cn2nc(-c3ccc(C(=O)O)cc3)ccc2=O)c1)OCC

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 6/20 0.62
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ POLB P06746 2/20 0.47
▸ HTT P42858 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL3106928 0.91 MET (0.75) METMEN1KMT2APOLBHTT
SCHEMBL13994272 0.90 MET (0.62) METMEN1KMT2APOLBSMN1; SMN2
SCHEMBL13994632 0.89 MET (0.61) METMEN1KMT2APOLBSMN1; SMN2
SCHEMBL13994268 0.87 MET (0.56) METMEN1KMT2APOLB
SCHEMBL13994631 0.87 MET (0.73) METMEN1KMT2APOLBHTT
SCHEMBL13994577 0.86 MET (0.55) MET
SCHEMBL15417145 0.85 MET (0.54) MET
SCHEMBL13994592 0.85 MET (0.61) METMEN1KMT2A
SCHEMBL13994285 0.85 MET (0.57) METMEN1KMT2ASMN1; SMN2
SCHEMBL3106144 0.83 MET (0.75) METMEN1KMT2A

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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