SCHEMBL5476544

SCHEMBL5476544

CS(=O)(=O)N(C(=O)Cn1c(-c2ccc3ccccc3c2)c(C2CCCCC2)c2ccc(C(=O)O)cc21)S(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.42
MMP12 P39900 1/20 0.42
SCN9A Q15858 6/20 0.36
NR1I2 O75469 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
PTGER4 P35408 2/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
FABP4 P15090 1/20 0.33
PIN1 Q13526 1/20 0.33
ALOX5AP P20292 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
SCHEMBL5783672 0.91 PRKCA (0.46) PRKCAMMP12SCN9ANR1I2PTGES
SCHEMBL5438018 0.90 PRKCA (0.46) PRKCAMMP12SCN9APTGER4FABP4
SCHEMBL5465729 0.86 PRKCA (0.39) PRKCAMMP12SCN9ANR1I2EGLN1
SCHEMBL14468741 0.85 PRKCA (0.45) PRKCAMMP12SCN9ANR1I2PTGER4
SCHEMBL5470483 0.84 SCN9A (0.44) PRKCAMMP12SCN9ANR1I2EGLN1
SCHEMBL5817418 0.84 SCN9A (0.53) PRKCAMMP12SCN9ANR1I2
SCHEMBL5819417 0.82 PRKCA (0.43) PRKCAMMP12SCN9ANR1I2PTGES
SCHEMBL2907228 0.80 PRKCA (0.50) PRKCAMMP12SCN9ANR1I2FABP4
SCHEMBL5443976 0.77 PRKCA (0.45) PRKCAMMP12SCN9AEGLN1FABP4
SCHEMBL5438990 0.77 PRKCA (0.45) PRKCAMMP12SCN9ANR1I2EGLN1

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
JP-2007516158-A 2007-06-21 JP claimed
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 claimed
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 claimed