SCHEMBL1384720

SCHEMBL1384720

CN(Cc1ccccc1)c1ncc(C(=O)NCCC(O)c2cccc(O)c2)c(-c2ccccc2I)n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASR P41180 8/20 0.46
APP P05067 5/20 0.34
PDK1 Q15118 1/20 0.34
MKNK1 Q9BUB5 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RIPK1 Q13546 1/20 0.33
KCNA5 P22460 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
SCHEMBL1383132 0.91 CASR (0.47) CASRAPPPDK1KDM4ENPSR1
SCHEMBL1386946 0.91 CASR (0.46) CASRAPP
SCHEMBL1385726 0.91 CASR (0.46) CASRAPPPDK1MKNK1ATG4B
SCHEMBL1385344 0.90 CASR (0.54) CASRAPPPDK1
SCHEMBL1385543 0.89 CASR (0.54) CASRMKNK1RIPK1
SCHEMBL1385867 0.81 CASR (0.59) CASRAPPKDM4EALDH1A1HTT
SCHEMBL1383335 0.81 CASR (0.54) CASRRIPK1
SCHEMBL1385738 0.81 CASR (0.46) CASRAPP
SCHEMBL1383382 0.81 CASR (0.46) CASRAPP
SCHEMBL1383579 0.81 CASR (0.55) CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4825686-B2 2011-11-30 JP claimed