SCHEMBL2913858

SCHEMBL2913858

CCOC(=O)CC(=O)c1ccc(NC(=O)c2cc(N3C(=O)CCNC3=O)cc(C(C)(C)C)c2OC)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
NR1H4 Q96RI1 2/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 3/20 0.36
ITGA4 P13612 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
F10 P00742 1/20 0.35
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 2/20 0.33
MAOA P21397 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL2917122 0.87 MAPT (0.42) MAPTSMN1; SMN2NR1H4MEN1ALDH1A1
SCHEMBL2915054 0.85 NR1H4 (0.40) MAPTSMN1; SMN2LMNANR1H4KDM4E
SCHEMBL2913384 0.85 NR1H4 (0.40) MAPTSMN1; SMN2LMNANR1H4KDM4E
SCHEMBL2913600 0.85 NR1H4 (0.40) MAPTSMN1; SMN2NR1H4KDM4EMEN1
SCHEMBL2909795 0.84 NR1H4 (0.39) MAPTSMN1; SMN2LMNANR1H4KDM4E
SCHEMBL2910166 0.83 MAPT (0.36) MAPTSMN1; SMN2LMNANR1H4KDM4E
SCHEMBL2913332 0.83 SMN1; SMN2 (0.41) MAPTSMN1; SMN2LMNANR1H4KDM4E
SCHEMBL2910598 0.83 NR1H4 (0.56) MAPTSMN1; SMN2NR1H4KDM4ETP53
SCHEMBL1530508 0.82 AURKB (0.44) MAPTSMN1; SMN2LMNANR1H4KDM4E
SCHEMBL2907136 0.82 NR1H4 (0.38) MAPTSMN1; SMN2NR1H4KDM4EMEN1

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