SCHEMBL27596205

SCHEMBL27596205

CCCCC(=O)OCCCNc1ncc(C(=O)c2ccccc2C)s1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.43
CCNB2 O95067 1/20 0.41
CCNE2 O96020 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
TOP2A P11388 1/20 0.40
LIMK1 P53667 1/20 0.39
LCK P06239 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
SCHEMBL27596165 0.90 TOP2A (0.40) MAPK14L3MBTL1TOP2A
SCHEMBL27596179 0.89 MAPK13 (0.43) MAPK14CCNB2CCNE2CDK1CCNB1
SCHEMBL27596213 0.89 MAPK14 (0.51) MAPK14
SCHEMBL27596180 0.89 LIMK1 (0.40) MAPK14LIMK1LCK
SCHEMBL27596405 0.89 MAPK14 (0.38) MAPK14TOP2ALCK
SCHEMBL27615061 0.88 LIMK1 (0.41) L3MBTL1TOP2ALIMK1
SCHEMBL27614968 0.83 ALDH1A1 (0.41) MAPK14L3MBTL1TOP2ALCK
SCHEMBL27615012 0.82 MAPK14 (0.42) MAPK14CCNB2CCNE2CDK1CCNB1
SCHEMBL5563863 0.82 MAPK14 (0.46) MAPK14LIMK1LCK
SCHEMBL27596193 0.82 PKM (0.44) MAPK14LCK

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