SCHEMBL5896822

SCHEMBL5896822

COc1cccc(COc2ccc(/C=C(\NC(=O)c3ccccc3)C(N)=O)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.54
NPC1 O15118 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
KDM4E B2RXH2 2/20 0.54
LMNA P02545 2/20 0.54
ALDH1A1 P00352 2/20 0.54
SPHK2 Q9NRA0 2/20 0.52
SPHK1 Q9NYA1 2/20 0.52
MRGPRX4 Q96LA9 3/20 0.51
TP53 P04637 2/20 0.51
PKM P14618 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPSR1 Q6W5P4 2/20 0.48
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL5896828 1.00 RAB9A (0.54) RAB9ANPC1SMN1; SMN2KDM4ELMNA
SCHEMBL5896836 1.00 RAB9A (0.54) RAB9ANPC1SMN1; SMN2KDM4ELMNA
SCHEMBL5895406 0.92 SPHK2 (0.53) RAB9ANPC1SMN1; SMN2KDM4ELMNA
SCHEMBL5895427 0.92 SPHK2 (0.53) RAB9ANPC1SMN1; SMN2KDM4ELMNA
SCHEMBL5895422 0.92 SPHK2 (0.53) RAB9ANPC1SMN1; SMN2KDM4ELMNA
SCHEMBL5897351 0.86 KMT2A (0.56) RAB9ANPC1SMN1; SMN2KDM4ELMNA
SCHEMBL5897344 0.86 KMT2A (0.56) RAB9ANPC1SMN1; SMN2KDM4ELMNA
SCHEMBL5897338 0.86 KMT2A (0.56) RAB9ANPC1SMN1; SMN2KDM4ELMNA
SCHEMBL5896067 0.83 ALDH1A1 (0.52) RAB9ANPC1SMN1; SMN2KDM4ELMNA
SCHEMBL5896045 0.83 ALDH1A1 (0.52) RAB9ANPC1SMN1; SMN2KDM4ELMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041690-B2 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY, LLC (US) 2006-05-09 US disclosed