SCHEMBL27596189

SCHEMBL27596189

O=C(c1cnc(NCCCOC(=O)C2CCCCC2)s1)c1ccccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 6/20 0.37
MAPK12 P53778 6/20 0.37
MAPK11 Q15759 6/20 0.37
MAPK14 Q16539 6/20 0.37
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL27596199 0.87 LCK (0.41) MAPK13MAPK12MAPK11MAPK14
SCHEMBL27596169 0.86 MAPK14 (0.38) MAPK13MAPK12MAPK11MAPK14
SCHEMBL27596191 0.81 HTT (0.44)
SCHEMBL27596184 0.80 LCK (0.36) MAPK14
SCHEMBL27615061 0.80 LIMK1 (0.41) L3MBTL1
SCHEMBL5564938 0.79 MAPK13 (0.44) MAPK13MAPK12MAPK11MAPK14
SCHEMBL27596159 0.76 MAPK13 (0.44) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5564934 0.74 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5569283 0.74 SCD (0.46) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5568708 0.74 STK17B (0.43)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100363362-C Thiazole derivatives as NPY receptor antagonists HOFFMANN LA ROCHE (CH) 2008-01-23 CN disclosed
CN-1639158-A Thiazole derivatives as NPY receptor antagonists HOFFMANN LA ROCHE (CH) 2005-07-13 CN disclosed