SCHEMBL5755299

SCHEMBL5755299

CN(C)C(=O)Cn1c(Br)c(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.44
MMP12 P39900 1/20 0.44
RHEB Q15382 2/20 0.39
KMO O15229 1/20 0.36
FABP4 P15090 1/20 0.36
CSNK2A1 P68400 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.35
HRH2 P25021 1/20 0.35
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.34
NCEH1 Q6PIU2 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
HCAR3 P49019 1/20 0.34
SCN9A Q15858 2/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
LOXL2 Q9Y4K0 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
SCHEMBL1173483 0.89 ALDH1A1 (0.42) PRKCAMMP12L3MBTL1MAPTNCEH1
SCHEMBL13095926 0.88 PRKCA (0.41) PRKCAMMP12RHEBKMOFABP4
SCHEMBL5300454 0.85 PRKCA (0.40) PRKCAMMP12KMOFABP4L3MBTL1
SCHEMBL2907228 0.85 PRKCA (0.50) PRKCAMMP12KMOFABP4L3MBTL1
SCHEMBL5233882 0.85 PRKCA (0.42) PRKCAMMP12RHEBKMOFABP4
SCHEMBL5438990 0.83 PRKCA (0.45) PRKCAMMP12L3MBTL1MAPTEGLN1
SCHEMBL5443976 0.83 PRKCA (0.45) PRKCAMMP12RHEBKMOFABP4
SCHEMBL5440051 0.82 PRKCA (0.44) PRKCAMMP12SCN9A
SCHEMBL5440954 0.82 PRKCA (0.44) PRKCAMMP12L3MBTL1MAPTSCN9A
SCHEMBL5433925 0.82 PRKCA (0.44) PRKCAMMP12SCN9A

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-1613634-A1 INDOLE ACETAMIDES AS INHIBITORS OF THE HEPATITIS C VIRUS NS5B POLYMERASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2006-01-11 EP disclosed
WO-2004087714-A1 INDOLE ACETAMIDES AS INHIBITORS OF THE HEPATITIS C VIRUS NS5B POLYMERASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2004-10-14 WO disclosed