SCHEMBL12428580

SCHEMBL12428580

O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCOc1ccc(OCc2cc(N4CCCC4=O)ccc2N2CCOCC2)cc1-3

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.39
MMP12 P39900 1/20 0.39
SCN9A Q15858 2/20 0.36
HPGD P15428 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
NR1I2 O75469 1/20 0.32
NPC1 O15118 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TSHR P16473 1/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 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
Hydrochloric Acid SCHEMBL773040 0.99 PRKCA (0.38) PRKCAMMP12SCN9AHPGDMEN1
SCHEMBL804172 0.95 PRKCA (0.39) PRKCAMMP12SCN9AHPGDMEN1
Hydrochloric Acid SCHEMBL772229 0.95 PRKCA (0.39) PRKCAMMP12SCN9AHPGDMEN1
SCHEMBL12428661 0.91 SCN9A (0.34) PRKCAMMP12SCN9AHPGDALDH1A1
SCHEMBL771979 0.90 PRKCA (0.39) PRKCAMMP12SCN9AHPGDALDH1A1
Hydrochloric Acid SCHEMBL774293 0.90 SCN9A (0.34) PRKCAMMP12SCN9AHPGDALDH1A1
SCHEMBL3785533 0.88 PRKCA (0.39) PRKCAMMP12SCN9AHPGDNPC1
Hydrochloric Acid SCHEMBL773020 0.88 PRKCA (0.39) PRKCAMMP12SCN9AHPGDNPC1
SCHEMBL12427654 0.88 SCN9A (0.34) PRKCAMMP12SCN9AHPGDALDH1A1
SCHEMBL10283203 0.87 PRKCA (0.38) PRKCAMMP12SCN9AHPGDNR1I2

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