SCHEMBL2913169

SCHEMBL2913169

COc1c(C#Cc2ccc(NS(C)(=O)=O)cc2Cl)cc(N2C(=O)CCNC2=O)cc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.40
HPGD P15428 2/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP3A4 P08684 3/20 0.34
PGR P06401 1/20 0.34
SLC22A12 Q96S37 1/20 0.33
HTR6 P50406 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
EPHX2 P34913 5/20 0.30
NR1H4 Q96RI1 3/20 0.30
PPARG P37231 1/20 0.30

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
SCHEMBL2908256 0.91 CRBN (0.42) CRBNHPGDCYP3A4PGRHTR6
SCHEMBL2916365 0.91 CRBN (0.40) CRBNCYP3A4
SCHEMBL2913987 0.90 CRBN (0.40) CRBNCYP3A4EPHX2
SCHEMBL2914788 0.89 CRBN (0.39) CRBNCYP3A4
SCHEMBL2912404 0.89 CRBN (0.39) CRBNCYP3A4SLC22A12
SCHEMBL2915572 0.89 CRBN (0.40) CRBNCYP3A4
SCHEMBL2913326 0.87 CRBN (0.38) CRBNCYP3A4
SCHEMBL2915746 0.85 CRBN (0.37) CRBNGAACYP3A4NPC1
SCHEMBL2915214 0.85 CRBN (0.33) CRBNSLC22A12HTR6
SCHEMBL2912660 0.85 CRBN (0.32) CRBN

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