SCHEMBL2902012

SCHEMBL2902012

Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(OCc2ccc(C(=O)O)o2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
TSHR P16473 1/20 0.54
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
HSP90AA1 P07900 1/20 0.53
MAPK11 Q15759 9/20 0.52
MAPK14 Q16539 9/20 0.52
POLB P06746 3/20 0.52
TDP1 Q9NUW8 2/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.46

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
SCHEMBL239703 0.92 NPC1 (0.56) LMNATSHRNPC1RAB9AHSP90AA1
SCHEMBL2904542 0.90 MAPK11 (0.52) LMNATSHRNPC1RAB9AHSP90AA1
SCHEMBL2901219 0.87 MAPK14 (0.52) MAPK11MAPK14TDP1CTDSP1
SCHEMBL242627 0.84 CTDSP1 (0.58) NPC1RAB9AMAPK11MAPK14TDP1
SCHEMBL243053 0.82 MAPK11 (0.52) LMNATSHRNPC1RAB9AHSP90AA1
SCHEMBL2904915 0.81 MAPK14 (0.52) MAPK11MAPK14TDP1CTDSP1
SCHEMBL243897 0.80 MAPK14 (0.51) MAPK11MAPK14TDP1CTDSP1KMT2A
SCHEMBL244106 0.80 MAPK14 (0.55) NPC1RAB9AMAPK11MAPK14SMN1; SMN2
SCHEMBL243749 0.80 MAPK14 (0.56) MAPK11MAPK14
SCHEMBL243419 0.80 MAPK14 (0.54) MAPK11MAPK14

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 6 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
JP-2007516979-A 2007-06-28 JP claimed
EP-1699766-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2006-09-13 EP claimed
WO-2005061465-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTO KINE INHIBITORS ASTRAZENECA AB (SE) 2005-07-07 WO 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