SCHEMBL2909603

SCHEMBL2909603

COc1c(C#Cc2ccc(NS(C)(=O)=O)cc2Cl)cc(-n2c(=O)cc[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.42
CYP3A4 P08684 3/20 0.37
PGR P06401 1/20 0.36
BRD4 O60885 7/20 0.34
SLC22A12 Q96S37 1/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
EPHX2 P34913 3/20 0.31
PPARG P37231 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
THRB P10828 1/20 0.31
PTK2 Q05397 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
SCHEMBL2913314 0.91 CRBN (0.42) CRBNCYP3A4BRD4
SCHEMBL3105519 0.90 CRBN (0.42) CRBNCYP3A4BRD4
SCHEMBL478603 0.89 CRBN (0.42) CRBNCYP3A4BRD4
SCHEMBL2910784 0.88 CRBN (0.41) CRBNCYP3A4
SCHEMBL2913952 0.86 CRBN (0.40) CRBNCYP3A4MEN1KMT2AMAPK1
SCHEMBL2907207 0.85 CRBN (0.39) CRBNCYP3A4BRD4
SCHEMBL1530321 0.82 CRBN (0.63) CRBNCYP3A4PGRBRD4SLC22A12
SCHEMBL2910591 0.82 CRBN (0.37) CRBNCYP3A4HPGDGAA
SCHEMBL2907834 0.81 CRBN (0.35) CRBNCYP3A4
SCHEMBL2907830 0.80 CRBN (0.34) CRBNCYP3A4

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