SCHEMBL15418971

SCHEMBL15418971

CC(C)(C)c1cc(C#Cc2ccc(NS(C)(=O)=O)cc2Cl)cc(-n2ccc(=O)[nH]c2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.46
EPHX2 P34913 4/20 0.36
NR1H4 Q96RI1 3/20 0.36
PPARG P37231 1/20 0.36
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HAVCR2 Q8TDQ0 1/20 0.33
BRPF1 P55201 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
SLC22A12 Q96S37 1/20 0.31
KAT2B Q92831 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
SCHEMBL1530321 0.81 CRBN (0.63) CRBNEPHX2NR1H4PPARGGAA
SCHEMBL1530443 0.79 DDB1 (0.38) CRBNEPHX2NR1H4PPARGGAA
SCHEMBL2915590 0.79 GAA (0.36) EPHX2NR1H4PPARGGAAHPGD
SCHEMBL1530231 0.74 CRBN (0.66) CRBNALDH1A1BRPF1
SCHEMBL1530745 0.73 CRBN (0.66) CRBNALDH1A1
SCHEMBL478823 0.73 CRBN (0.63) CRBN
SCHEMBL1530701 0.71 CRBN (0.64) CRBNALDH1A1KAT2B
SCHEMBL1530593 0.71 CRBN (0.43) CRBN
SCHEMBL1531039 0.71 CRBN (0.63) CRBN
SCHEMBL15419007 0.70 CRBN (0.62) CRBNSLC22A12

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