SCHEMBL16660930

SCHEMBL16660930

CC=C(N)c1ccc(-c2ccc(OCC(C)(C)C(=O)OC)nc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 16/20 0.58
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
AAK1 Q2M2I8 1/20 0.40
SOAT1 P35610 1/20 0.39
KCNH2 Q12809 1/20 0.39
NNMT P40261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL16660947 0.89 MKNK1 (0.63) DGAT1MKNK1MKNK2AAK1SOAT1
SCHEMBL16661050 0.87 DGAT1 (0.59) DGAT1MKNK1MKNK2AAK1
SCHEMBL18541134 0.85 DGAT1 (0.62) DGAT1MKNK1MKNK2AAK1SOAT1
SCHEMBL16661033 0.85 DGAT1 (0.62) DGAT1MKNK1MKNK2SOAT1KCNH2
SCHEMBL10007447 0.84 DGAT1 (0.60) DGAT1MKNK1MKNK2AAK1SOAT1
SCHEMBL16661020 0.82 DGAT1 (0.59) DGAT1MKNK1MKNK2SOAT1KCNH2
SCHEMBL20428788 0.82 DGAT1 (0.54) DGAT1MKNK1MKNK2AAK1
SCHEMBL16661278 0.81 DGAT1 (0.58) DGAT1MKNK1MKNK2AAK1SOAT1
SCHEMBL20428515 0.81 DGAT1 (0.58) DGAT1MKNK1MKNK2AAK1SOAT1
SCHEMBL10176555 0.81 DGAT1 (0.52) DGAT1MKNK1MKNK2SOAT1KCNH2

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
EP-2862856-A1 AROMATIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2015-04-22 EP disclosed