SCHEMBL2904542

SCHEMBL2904542

Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(OCc2ccc(C(=O)O)o2)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 15/20 0.52
MAPK14 Q16539 15/20 0.52
MAPK13 O15264 2/20 0.45
MAPK12 P53778 2/20 0.45
NPC1 O15118 1/20 0.45
HSP90AA1 P07900 1/20 0.45
RAB9A P51151 1/20 0.45
BRD4 O60885 2/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL243053 0.92 MAPK11 (0.52) MAPK11MAPK14MAPK13MAPK12NPC1
SCHEMBL2902012 0.90 LMNA (0.54) MAPK11MAPK14NPC1HSP90AA1RAB9A
SCHEMBL239890 0.85 BRD4 (0.61) MAPK11MAPK14MAPK13MAPK12BRD4
SCHEMBL239703 0.82 NPC1 (0.56) MAPK11MAPK14NPC1HSP90AA1RAB9A
SCHEMBL243632 0.79 MAPK11 (0.50) MAPK11MAPK14MAPK13MAPK12
SCHEMBL243394 0.79 MAPK14 (0.58) MAPK11MAPK14
SCHEMBL242779 0.78 KMT2A (0.55) MAPK11MAPK14LMNATSHR
SCHEMBL243655 0.78 MAPK14 (0.51) MAPK11MAPK14MAPK13MAPK12
SCHEMBL2901219 0.77 MAPK14 (0.52) MAPK11MAPK14MAPK13MAPK12
SCHEMBL244250 0.77 MAPK14 (0.52) MAPK11MAPK14MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699766-B1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2010-08-11 EP claimed
EP-1699766-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2006-09-13 EP disclosed
WO-2005061465-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTO KINE INHIBITORS ASTRAZENECA AB (SE) 2005-07-07 WO disclosed