SCHEMBL5456300

SCHEMBL5456300

CC(=O)[AsH]c1cccc(-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2CC(=O)N(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.42
MMP12 P39900 1/20 0.42
SCN9A Q15858 6/20 0.33
KMO O15229 1/20 0.33
LOXL2 Q9Y4K0 2/20 0.33
MAPT P10636 1/20 0.33
KEAP1 Q14145 2/20 0.32
NFE2L2 Q16236 2/20 0.32
RHEB Q15382 1/20 0.32
FABP4 P15090 1/20 0.32
NR1I2 O75469 1/20 0.31
CYP2D6 P10635 1/20 0.31
HRH1 P35367 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL2907228 0.88 PRKCA (0.50) PRKCAMMP12SCN9AKMOLOXL2
SCHEMBL5442625 0.87 PRKCA (0.45) PRKCAMMP12SCN9AKMOLOXL2
SCHEMBL5433680 0.87 PRKCA (0.45) PRKCAMMP12SCN9AKMOLOXL2
SCHEMBL5436038 0.86 PRKCA (0.44) PRKCAMMP12SCN9AKMOLOXL2
SCHEMBL5436409 0.86 PRKCA (0.44) PRKCAMMP12SCN9AKMOLOXL2
SCHEMBL5447306 0.85 PRKCA (0.42) PRKCAMMP12SCN9ACYP2D6
SCHEMBL5444140 0.85 PRKCA (0.45) PRKCAMMP12SCN9AKMOMAPT
SCHEMBL5433781 0.85 PRKCA (0.43) PRKCAMMP12SCN9AMAPTNR1I2
SCHEMBL5436689 0.83 PRKCA (0.48) PRKCAMMP12SCN9AKMOLOXL2
SCHEMBL5438018 0.83 PRKCA (0.46) PRKCAMMP12SCN9AMAPTFABP4

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