SCHEMBL2913446

SCHEMBL2913446

CC(C)(C)c1cc(N2C(=O)CCNC2=O)cc(C(=O)Nc2ccc(N(c3ccccc3)S(C)(=O)=O)cc2)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
BCL2L1 Q07817 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.35
CFTR P13569 4/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ITGA4 P13612 1/20 0.33
BCL2 P10415 1/20 0.33
MCL1 Q07820 1/20 0.33
SIRT5 Q9NXA8 1/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL2910962 0.89 RAB9A (0.39) ALDH1A1NPSR1NPC1LMNATP53
SCHEMBL2913166 0.85 XDH (0.38) ALDH1A1NPSR1NPC1LMNABCL2L1
SCHEMBL2910190 0.85 GPR27 (0.42) MEN1KMT2A
SCHEMBL2910683 0.83 ALDH1A1 (0.36) ALDH1A1LMNABCL2L1L3MBTL1CFTR
SCHEMBL1530642 0.82 AURKB (0.42) ALDH1A1NPSR1BCL2L1L3MBTL1POLB
SCHEMBL2910291 0.81 CNR2 (0.38) ALDH1A1LMNABCL2L1CFTRMEN1
SCHEMBL2913374 0.80 BCL2L1 (0.36) ALDH1A1BCL2L1L3MBTL1CFTRITGA4
SCHEMBL2907832 0.79 BCL2L1 (0.34) BCL2L1L3MBTL1POLBCFTRITGA4
SCHEMBL2913154 0.79 BCL2L1 (0.35) ALDH1A1BCL2L1L3MBTL1POLBCFTR
SCHEMBL2913556 0.79 NPC1 (0.46) ALDH1A1NPC1POLBMAPTSMN1; SMN2

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