SCHEMBL13994272

SCHEMBL13994272

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

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 5/20 0.62
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ MAPT P10636 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ CHEK1 O14757 1/20 0.46
▸ NEK2 P51955 1/20 0.46
▸ LIMK1 P53667 1/20 0.46
▸ TYRO3 Q06418 1/20 0.46
▸ CLK4 Q9HAZ1 1/20 0.46
▸ 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
SCHEMBL13994632 0.93 MET (0.61) METMEN1KMT2AMAPTPOLB
SCHEMBL13994271 0.90 MET (0.62) METMEN1KMT2APOLBSMN1; SMN2
SCHEMBL13994592 0.88 MET (0.61) METMEN1KMT2ACHEK1NEK2
SCHEMBL13994285 0.87 MET (0.57) METMEN1KMT2AMAPTTP53
SCHEMBL13994340 0.86 MET (0.59) METMEN1KMT2A
SCHEMBL13994596 0.85 MET (0.58) METMEN1KMT2A
SCHEMBL13994630 0.85 MET (0.64) MET
SCHEMBL13994268 0.84 MET (0.56) METMEN1KMT2APOLB
SCHEMBL13994337 0.84 MET (0.59) METMAPTTP53KDM4E
SCHEMBL13994577 0.83 MET (0.55) 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-2008145243-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2008-12-04 — — WO disclosed
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