SCHEMBL12427609

SCHEMBL12427609

COc1ccc2c(c1)N(CC(=O)N1CCCCC1)CCn1c-2c(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.43
MMP12 P39900 1/20 0.43
KMT2A Q03164 1/20 0.41
NR1I2 O75469 5/20 0.40
KCNH2 Q12809 7/20 0.39
CYP3A4 P08684 3/20 0.39
SCN5A Q14524 2/20 0.39
SCN9A Q15858 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
F10 P00742 3/20 0.37

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
SCHEMBL804105 0.94 PRKCA (0.41) PRKCAMMP12KMT2ANR1I2KCNH2
SCHEMBL10283493 0.94 PRKCA (0.43) PRKCAMMP12KMT2ANR1I2KCNH2
SCHEMBL12427611 0.93 KCNH2 (0.42) PRKCAMMP12KMT2ANR1I2KCNH2
SCHEMBL10283565 0.89 CHRM2 (0.45) PRKCAMMP12NR1I2SCN9AF10
SCHEMBL12428860 0.89 PRKCA (0.46) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL12427570 0.89 PRKCA (0.46) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL12427623 0.88 PRKCA (0.43) PRKCAMMP12KMT2ANR1I2KCNH2
SCHEMBL12427684 0.88 CHRM2 (0.44) PRKCAMMP12NR1I2SCN9A
SCHEMBL10283563 0.88 PRKCA (0.43) PRKCAMMP12KMT2ASCN9AF10
SCHEMBL12428868 0.88 KCNH2 (0.45) PRKCAMMP12NR1I2KCNH2CYP3A4

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