SCHEMBL2915217

SCHEMBL2915217

COc1c(CNc2ccc(NS(C)(=O)=O)cc2)cc(N2C(=O)CCNC2=O)cc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.42
CRBN Q96SW2 1/20 0.40
ALOX12 P18054 3/20 0.34
ADRB1 P08588 3/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NTRK1 P04629 2/20 0.31
ABCB1 P08183 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2113416 0.89 CYP3A4 (0.56) CYP3A4CRBNADRB1LMNAKDM4E
SCHEMBL2915585 0.88 CYP3A4 (0.43) CYP3A4CRBNADRB1LMNANPC1
SCHEMBL2916119 0.87 ALOX12 (0.37) CYP3A4ALOX12ADRB1NTRK1
SCHEMBL2915218 0.86 CYP3A4 (0.40) CYP3A4CRBNADRB1
SCHEMBL2915916 0.82 CRBN (0.39) CYP3A4CRBNADRB1NPSR1NPC1
SCHEMBL2913728 0.81 CYP3A4 (0.56) CYP3A4CRBN
SCHEMBL2915572 0.81 CRBN (0.40) CYP3A4CRBNADRB1
SCHEMBL2913880 0.81 CYP3A4 (0.56) CYP3A4CRBN
SCHEMBL2914859 0.81 CYP3A4 (0.40) CYP3A4CRBNADRB1ABCB1
SCHEMBL2914788 0.80 CRBN (0.39) CYP3A4CRBN

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
EP-2222646-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C Abbott Laboratories (US) 2010-09-01 EP disclosed
WO-2009039127-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed