SCHEMBL12429005

SCHEMBL12429005

COC(=O)Cn1c(CNC(=O)c2ccc3c(C4CCCCC4)c4n(c3c2)CCOc2ccccc2-4)nc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.44
MMP12 P39900 1/20 0.44
HTT P42858 1/20 0.39
NR1I2 O75469 1/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SCN9A Q15858 3/20 0.37
TP53 P04637 2/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL774451 0.92 PRKCA (0.46) PRKCAMMP12HTTNR1I2LMNA
SCHEMBL773811 0.90 PRKCA (0.44) PRKCAMMP12HTTNR1I2LMNA
SCHEMBL774322 0.89 PRKCA (0.47) PRKCAMMP12HTTNR1I2LMNA
SCHEMBL12429031 0.86 PRKCA (0.43) PRKCAMMP12NR1I2SCN9AMAPT
SCHEMBL774060 0.85 PRKCA (0.48) PRKCAMMP12HTTNR1I2LMNA
SCHEMBL772489 0.81 ROCK2 (0.48) PRKCAMMP12NR1I2KMT2ASCN9A
SCHEMBL12429016 0.81 PRKCA (0.43) PRKCAMMP12NR1I2SCN9AMAPT
SCHEMBL771736 0.80 PRKCA (0.48) PRKCAMMP12NR1I2SCN9ATP53
SCHEMBL773991 0.80 PRKCA (0.46) PRKCAMMP12NR1I2SCN9A
SCHEMBL774557 0.79 PRKCA (0.54) PRKCAMMP12HTTNR1I2LMNA

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