SCHEMBL2907782

SCHEMBL2907782

COc1ccc(CN(c2ccc(NC(=O)c3cc(N4C(=O)CCNC4=O)cc(C(C)(C)C)c3OC)cc2)S(C)(=O)=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
LMNA P02545 5/20 0.38
ALDH1A1 P00352 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 2/20 0.37
POLB P06746 2/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
PTPN1 P18031 1/20 0.36
F10 P00742 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 1/20 0.34
MAPKAPK2 P49137 1/20 0.34

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
SCHEMBL2907495 0.90 NR1H4 (0.36) MAPTLMNAALDH1A1NPSR1MEN1
SCHEMBL2907827 0.87 LMNA (0.46) MAPTLMNAALDH1A1NPSR1MEN1
SCHEMBL2913231 0.87 MAPT (0.34) MAPTLMNAALDH1A1NPSR1MEN1
SCHEMBL2907867 0.84 NR1H4 (0.35) MAPTLMNAALDH1A1NPSR1MEN1
SCHEMBL1530815 0.84 AURKB (0.42) MAPTLMNAALDH1A1NPSR1MEN1
SCHEMBL2910755 0.84 MAPT (0.38) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL2907218 0.84 NR1H4 (0.38) MAPTLMNAALDH1A1NPSR1MEN1
SCHEMBL2914099 0.83 NR1H4 (0.35) MAPTLMNAALDH1A1NPSR1MEN1
SCHEMBL2910166 0.83 MAPT (0.36) MAPTLMNAALDH1A1NPSR1L3MBTL1
SCHEMBL2915395 0.83 BCL2 (0.36) MAPTLMNAALDH1A1NPSR1L3MBTL1

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