SCHEMBL12428498

SCHEMBL12428498

O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCN(CC[C@@H]1CCCN(C2CCCC2)C1)c1cc(Cl)ccc1-3

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.41
MMP12 P39900 1/20 0.41
SCN9A Q15858 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
RAB9A P51151 3/20 0.33
MCL1 Q07820 2/20 0.33
NR1I2 O75469 3/20 0.33
CCR2 P41597 2/20 0.33
KCNH2 Q12809 2/20 0.33
CCR3 P51677 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL12427975 1.00 PRKCA (0.41) PRKCAMMP12SCN9AKDM2BRAB9A
SCHEMBL12428522 1.00 PRKCA (0.41) PRKCAMMP12SCN9AKDM2BRAB9A
SCHEMBL12428366 1.00 PRKCA (0.41) PRKCAMMP12SCN9AKDM2BRAB9A
SCHEMBL12428529 0.96 PRKCA (0.40) PRKCAMMP12SCN9AKDM2BRAB9A
SCHEMBL12427904 0.92 PRKCA (0.44) PRKCAMMP12SCN9AMCL1NR1I2
SCHEMBL10283500 0.91 PRKCA (0.42) PRKCAMMP12SCN9AKDM2BRAB9A
SCHEMBL10283201 0.91 PRKCA (0.42) PRKCAMMP12SCN9AKDM2BRAB9A
SCHEMBL12427924 0.89 PRKCA (0.42) PRKCAMMP12SCN9AMCL1NR1I2
SCHEMBL12427972 0.89 PRKCA (0.42) PRKCAMMP12SCN9AKDM2BMCL1
SCHEMBL12427926 0.88 PRKCA (0.41) PRKCAMMP12SCN9AKDM2BMCL1

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