SCHEMBL2908256

SCHEMBL2908256

COc1cc(NS(C)(=O)=O)ccc1C#Cc1cc(N2C(=O)CCNC2=O)cc(C(C)(C)C)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.42
CYP3A4 P08684 3/20 0.34
PGR P06401 2/20 0.34
NR3C1 P04150 1/20 0.34
NR3C2 P08235 1/20 0.34
AR P10275 1/20 0.34
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
FYN P06241 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVR1 Q04771 1/20 0.33
ROCK2 O75116 1/20 0.33
CYP17A1 P05093 3/20 0.33
ABCB1 P08183 1/20 0.31
PTK2 Q05397 3/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 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
SCHEMBL2916365 0.92 CRBN (0.40) CRBNCYP3A4CYP17A1
SCHEMBL2913169 0.91 CRBN (0.40) CRBNCYP3A4PGRHTR6KDM4E
SCHEMBL2913987 0.91 CRBN (0.40) CRBNCYP3A4
SCHEMBL2914788 0.90 CRBN (0.39) CRBNCYP3A4
SCHEMBL2912404 0.90 CRBN (0.39) CRBNCYP3A4ARCYP17A1
SCHEMBL2915572 0.90 CRBN (0.40) CRBNCYP3A4
SCHEMBL2913326 0.89 CRBN (0.38) CRBNCYP3A4FYNTGFBR1ACVR1
SCHEMBL2915746 0.86 CRBN (0.37) CRBNCYP3A4ACVR1NPC1
SCHEMBL2913397 0.83 CRBN (0.33) CRBN
SCHEMBL2915214 0.83 CRBN (0.33) CRBNHTR6

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