SCHEMBL12428519

SCHEMBL12428519

Cc1ccc2c(c1)N(CCN1CCCC(COC(C)C)C1)CCn1c-2c(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.41
MMP12 P39900 1/20 0.41
KCNH2 Q12809 6/20 0.35
SCN9A Q15858 3/20 0.33
NR1I2 O75469 6/20 0.33
CYP3A4 P08684 3/20 0.32
SCN5A Q14524 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ESR1 P03372 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
SCHEMBL12428047 0.93 PRKCA (0.42) PRKCAMMP12KCNH2SCN9ANR1I2
SCHEMBL10283551 0.93 PRKCA (0.42) PRKCAMMP12KCNH2SCN9ANR1I2
SCHEMBL12428544 0.93 PRKCA (0.42) PRKCAMMP12KCNH2SCN9ANR1I2
SCHEMBL12428517 0.92 PRKCA (0.41) PRKCAMMP12KCNH2SCN9ANR1I2
SCHEMBL12428507 0.92 PRKCA (0.46) PRKCAMMP12KCNH2SCN9ANR1I2
SCHEMBL10283219 0.92 PRKCA (0.42) PRKCAMMP12KCNH2SCN9ANR1I2
SCHEMBL804202 0.91 PRKCA (0.40) PRKCAMMP12KCNH2SCN9ANR1I2
SCHEMBL12428553 0.90 PRKCA (0.43) PRKCAMMP12KCNH2SCN9ANR1I2
SCHEMBL12428570 0.90 PRKCA (0.43) PRKCAMMP12KCNH2SCN9ANR1I2
SCHEMBL10283578 0.90 PRKCA (0.43) PRKCAMMP12KCNH2SCN9ANR1I2

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