SCHEMBL27596405

SCHEMBL27596405

CCCCC(=O)OCCCNc1ncc(C(=O)c2cccnc2C)s1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.38
TOP2A P11388 1/20 0.37
TMPRSS15 P98073 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.36
P2RX7 Q99572 1/20 0.36
LCK P06239 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 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
SCHEMBL27596205 0.89 MAPK14 (0.43) MAPK14TOP2ALCK
SCHEMBL27596165 0.87 TOP2A (0.40) MAPK14TOP2ANPC1MAPK13MAPK12
SCHEMBL27596179 0.86 MAPK13 (0.43) MAPK14TOP2AMAPK13MAPK12MAPK11
SCHEMBL27596213 0.86 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11
SCHEMBL27596180 0.85 LIMK1 (0.40) MAPK14TMPRSS15LCK
SCHEMBL27615061 0.84 LIMK1 (0.41) TOP2A
SCHEMBL5568716 0.81 P2RX7 (0.45) MAPK14NPC1P2RX7MAPK13MAPK12
SCHEMBL27614968 0.80 ALDH1A1 (0.41) MAPK14TOP2ATMPRSS15ALDH1A1LCK
SCHEMBL5568753 0.79 P2RX7 (0.45) MAPK14TMPRSS15P2RX7MAPK13MAPK12
SCHEMBL5568609 0.74 RAB9A (0.49) MAPK14NPC1MAPK13MAPK12MAPK11

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