SCHEMBL12428533

SCHEMBL12428533

O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCN(CCCCN1CCCCC1)c1cc(Cl)ccc1-3

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.42
MMP12 P39900 1/20 0.42
SCN9A Q15858 2/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH3 Q9Y5N1 9/20 0.37
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CACNA1G O43497 2/20 0.35
KCNH2 Q12809 1/20 0.34

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
SCHEMBL12427944 0.98 PRKCA (0.42) PRKCAMMP12SCN9AMEN1KMT2A
SCHEMBL12427950 0.98 PRKCA (0.42) PRKCAMMP12SCN9AMEN1KMT2A
SCHEMBL12427980 0.98 PRKCA (0.42) PRKCAMMP12SCN9AMEN1KMT2A
SCHEMBL12427986 0.95 PRKCA (0.43) PRKCAMMP12SCN9AMEN1KMT2A
SCHEMBL12429142 0.95 PRKCA (0.43) PRKCAMMP12SCN9AMEN1KMT2A
SCHEMBL12427889 0.95 PRKCA (0.43) PRKCAMMP12SCN9AMEN1KMT2A
SCHEMBL804085 0.95 PRKCA (0.43) PRKCAMMP12SCN9AMEN1KMT2A
SCHEMBL12427893 0.95 PRKCA (0.43) PRKCAMMP12SCN9AMEN1KMT2A
SCHEMBL12427981 0.92 PRKCA (0.41) PRKCAMMP12SCN9AKMT2AKDM4E
SCHEMBL804901 0.91 PRKCA (0.43) PRKCAMMP12SCN9AMEN1KMT2A

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