SCHEMBL27596169

SCHEMBL27596169

CCc1ccccc1C(=O)c1cnc(NCCCOC(=O)C2CCCCC2)s1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.38
MAPK13 O15264 6/20 0.38
MAPK12 P53778 6/20 0.38
MAPK11 Q15759 6/20 0.38
TDP1 Q9NUW8 1/20 0.37
LCK P06239 1/20 0.36
PKM P14618 1/20 0.36

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 0.90 LCK (0.41) MAPK14MAPK13MAPK12MAPK11TDP1
SCHEMBL27596189 0.86 MAPK13 (0.37) MAPK14MAPK13MAPK12MAPK11
SCHEMBL27596184 0.83 LCK (0.36) MAPK14LCKPKM
SCHEMBL27596165 0.81 TOP2A (0.40) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5564649 0.80 EPHX1 (0.45)
SCHEMBL27596183 0.80 ALDH1A1 (0.40)
SCHEMBL5564247 0.78 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11
SCHEMBL27615016 0.76 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5568870 0.75 POLB (0.44) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5564238 0.74 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11

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