SCHEMBL2913332

SCHEMBL2913332

COc1c(C(=O)Nc2ccc(NC(=O)COC(C)=O)cc2)cc(N2C(=O)CCNC2=O)cc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
PKM P14618 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 4/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34
ITGA4 P13612 1/20 0.34
F10 P00742 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DHODH Q02127 1/20 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
SCHEMBL2913600 0.89 NR1H4 (0.40) SMN1; SMN2NR1H4ALDH1A1MAPTKMT2A
SCHEMBL2917122 0.87 MAPT (0.42) SMN1; SMN2NR1H4ALDH1A1MAPTKMT2A
SCHEMBL2915054 0.87 NR1H4 (0.40) SMN1; SMN2NR1H4ALDH1A1MAPTKMT2A
SCHEMBL2913384 0.87 NR1H4 (0.40) SMN1; SMN2NR1H4MAPTKMT2AMEN1
SCHEMBL2909795 0.86 NR1H4 (0.39) SMN1; SMN2NR1H4MAPTKMT2AMEN1
SCHEMBL2910598 0.85 NR1H4 (0.56) SMN1; SMN2NR1H4MAPTKDM4EPOLB
SCHEMBL2907136 0.84 NR1H4 (0.38) SMN1; SMN2NR1H4MAPTKMT2AMEN1
SCHEMBL2916146 0.84 ALDH1A1 (0.38) SMN1; SMN2NR1H4ALDH1A1MAPTKMT2A
SCHEMBL2907824 0.84 MAPT (0.39) SMN1; SMN2NR1H4ALDH1A1MAPTKDM4E
SCHEMBL2913858 0.83 MAPT (0.36) SMN1; SMN2NR1H4ALDH1A1MAPTKMT2A

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