SCHEMBL12428255

SCHEMBL12428255

Cc1cc(COc2ccc3c(c2)N(CCN2CCCCC2)CCn2c-3c(C3CCCCC3)c3ccc(C(=O)O)cc32)no1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.40
MMP12 P39900 1/20 0.40
ROCK2 O75116 1/20 0.36
VDR P11473 4/20 0.34
NR1H4 Q96RI1 4/20 0.34
SCN9A Q15858 4/20 0.34
ESR1 P03372 3/20 0.34
ESR2 Q92731 3/20 0.34
GLP1R P43220 1/20 0.34
KCNH2 Q12809 2/20 0.33
FLT1 P17948 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
S1PR1 P21453 1/20 0.33
PTGER1 P34995 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 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
SCHEMBL12428350 0.92 PRKCA (0.46) PRKCAMMP12ROCK2VDRNR1H4
SCHEMBL12428167 0.89 PRKCA (0.38) PRKCAMMP12ROCK2VDRNR1H4
SCHEMBL804548 0.88 L3MBTL1 (0.42) PRKCAMMP12SCN9AESR1ESR2
SCHEMBL10283614 0.88 PRKCA (0.42) PRKCAMMP12SCN9AESR1ESR2
SCHEMBL12427985 0.88 PRKCA (0.42) PRKCAMMP12SCN9AESR1ESR2
SCHEMBL792699 0.87 PRKCA (0.41) PRKCAMMP12SCN9AESR1ESR2
SCHEMBL10283489 0.87 EGFR (0.44) PRKCAMMP12
SCHEMBL12427623 0.86 PRKCA (0.43) PRKCAMMP12SCN9AKCNH2
SCHEMBL12428492 0.86 PRKCA (0.37) PRKCAMMP12SCN9AESR1ESR2
SCHEMBL12428343 0.86 POLB (0.43) PRKCAMMP12SCN9AESR1ESR2

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