SCHEMBL6680385

SCHEMBL6680385

CC(C)(C)OC(=O)Nc1cccc(CCNC(=O)Oc2ccc(N)cn2)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 6/20 0.38
NQO2 P16083 1/20 0.37
NR3C2 P08235 1/20 0.35
HDAC1 Q13547 1/20 0.35
NAMPT P43490 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
MAPK8 P45983 1/20 0.34
CCR2 P41597 1/20 0.34
SCN9A Q15858 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
GLS O94925 1/20 0.33
ATR Q13535 1/20 0.33

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
SCHEMBL6500770 0.86 ITGB3 (0.41) MAPKAPK2NR3C2HDAC1MAPK8CCR2
SCHEMBL7085612 0.86 TAAR1 (0.40) MAPKAPK2NQO2NR3C2GAAHPGD
SCHEMBL28580348 0.83 NQO2 (0.49) NQO2NR3C2NAMPTLMNAGAA
SCHEMBL6680383 0.79 MAPKAPK2 (0.41) MAPKAPK2NR3C2HDAC1NAMPTCCR2
SCHEMBL6492113 0.79 MAPKAPK2 (0.40) MAPKAPK2NR3C2HDAC1CCR2SCN9A
SCHEMBL6492788 0.78 NR3C2 (0.45) MAPKAPK2NQO2NR3C2HDAC1MAPK8
SCHEMBL6499366 0.77 NR3C2 (0.37) MAPKAPK2NR3C2HDAC1CKS1BSKP1
SCHEMBL6499724 0.77 ITGB3 (0.47) LMNASCN9ACA1CA2
Hydrochloric Acid SCHEMBL28586309 0.77 NR3C2 (0.44) MAPKAPK2NQO2NR3C2HDAC1MAPK8
SCHEMBL6320838 0.74 NR3C2 (0.43) NQO2NR3C2LMNAGAAMAPK8

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
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO disclosed