SCHEMBL12428233

SCHEMBL12428233

CC(C)c1ccc2c(c1)N(CCN1CCCC1)CCn1c-2c(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.44
MMP12 P39900 1/20 0.44
SCN9A Q15858 4/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNH2 Q12809 5/20 0.35
NR1I2 O75469 5/20 0.34
HRH3 Q9Y5N1 3/20 0.34
HTR1A P08908 1/20 0.34
SLC6A4 P31645 1/20 0.34
HRH1 P35367 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 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
SCHEMBL12428060 1.00 PRKCA (0.44) PRKCAMMP12SCN9AMEN1KMT2A
SCHEMBL12428151 1.00 PRKCA (0.44) PRKCAMMP12SCN9AMEN1KMT2A
SCHEMBL804229 0.92 PRKCA (0.46) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL12428157 0.92 PRKCA (0.43) PRKCAMMP12SCN9AKMT2AKCNH2
SCHEMBL12428158 0.91 PRKCA (0.42) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL804612 0.90 PRKCA (0.45) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL803833 0.90 PRKCA (0.45) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL12427971 0.90 PRKCA (0.45) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL12427895 0.90 PRKCA (0.45) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL12428276 0.90 PRKCA (0.41) PRKCAMMP12SCN9AKCNH2NR1I2

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
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed