SCHEMBL15419007

SCHEMBL15419007

COc1c(C#Cc2ccc(NS(C)(=O)=O)cc2C(F)(F)F)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.62
CYP3A4 P08684 3/20 0.34
SLC22A12 Q96S37 1/20 0.33
CYP17A1 P05093 4/20 0.33
BRD4 O60885 4/20 0.32
KIF11 P52732 1/20 0.31
PTGS2 P35354 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
NR3C1 P04150 1/20 0.31
AR P10275 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
SCHEMBL1530745 0.95 CRBN (0.66) CRBNCYP3A4BRD4NR3C1AR
SCHEMBL1530701 0.90 CRBN (0.64) CRBNCYP3A4CYP17A1BRD4
SCHEMBL1530321 0.89 CRBN (0.63) CRBNCYP3A4SLC22A12BRD4
SCHEMBL1531039 0.89 CRBN (0.63) CRBNCYP3A4BRD4
SCHEMBL478823 0.88 CRBN (0.63) CRBNCYP3A4BRD4
SCHEMBL1530470 0.87 CRBN (0.52) CRBN
SCHEMBL1530897 0.87 CRBN (0.60) CRBNCYP3A4
SCHEMBL1530227 0.85 CRBN (0.59) CRBNCYP3A4
SCHEMBL1530679 0.84 CRBN (0.59) CRBNCYP3A4CYP17A1BRD4
SCHEMBL1530851 0.82 CRBN (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222646-B1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C ABBVIE BAHAMAS LTD (BS) 2014-01-22 EP claimed