SCHEMBL2915916

SCHEMBL2915916

COc1c(N(C)C(=O)c2ccc(NS(C)(=O)=O)cc2)cc(N2C(=O)CCNC2=O)cc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.39
CYP3A4 P08684 3/20 0.37
ADRB1 P08588 4/20 0.35
GPR119 Q8TDV5 1/20 0.35
WDR5 P61964 1/20 0.33
EPHX2 P34913 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
NR3C2 P08235 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HPGD P15428 2/20 0.31
RECQL P46063 1/20 0.31
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 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
SCHEMBL2916163 0.87 CRBN (0.38) CRBNCYP3A4ADRB1NR3C2
SCHEMBL2915218 0.86 CYP3A4 (0.40) CRBNCYP3A4ADRB1WDR5EPHX2
SCHEMBL2910562 0.85 HPGD (0.41) CRBNCYP3A4ADRB1RAB9ANPC1
SCHEMBL1530654 0.82 AURKB (0.39) CRBNCYP3A4ADRB1GPR119WDR5
SCHEMBL2909904 0.82 CYP3A4 (0.40) CRBNCYP3A4ADRB1WDR5
SCHEMBL2910585 0.82 CYP3A4 (0.40) CRBNCYP3A4ADRB1WDR5
SCHEMBL2915217 0.82 CYP3A4 (0.42) CRBNCYP3A4ADRB1L3MBTL1NPC1
SCHEMBL2910588 0.82 CYP3A4 (0.40) CRBNCYP3A4ADRB1WDR5
SCHEMBL2914330 0.82 CYP3A4 (0.40) CRBNCYP3A4ADRB1WDR5
SCHEMBL2906898 0.82 CYP3A4 (0.40) CRBNCYP3A4ADRB1WDR5

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