SCHEMBL2913374

SCHEMBL2913374

CNS(=O)(=O)Cc1ccc(NC(=O)c2cc(N3C(=O)CCNC3=O)cc(C(C)(C)C)c2O)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 2/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
ITGA4 P13612 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BCL2 P10415 2/20 0.34
MCL1 Q07820 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34
PLG P00747 2/20 0.33
KLK1 P06870 2/20 0.33
KLK6 Q92876 2/20 0.33
KLKB1 P03952 1/20 0.33
NR1H4 Q96RI1 4/20 0.32
TRPV4 Q9HBA0 1/20 0.32
CFTR P13569 3/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
KIF18A Q8NI77 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL2915481 0.89 NR1H4 (0.41) ALKBH5ITGA4L3MBTL1BCL2NR1H4
SCHEMBL2908073 0.86 NR1H4 (0.47) ITGA4L3MBTL1NR1H4
SCHEMBL2913166 0.85 XDH (0.38) BCL2L1ITGA4L3MBTL1CFTRKIF18A
SCHEMBL2915315 0.85 KIF18A (0.35) BCL2L1ITGA4L3MBTL1BCL2MCL1
SCHEMBL2907832 0.84 BCL2L1 (0.34) BCL2L1ITGA4L3MBTL1BCL2MCL1
SCHEMBL2913154 0.84 BCL2L1 (0.35) BCL2L1ITGA4L3MBTL1BCL2MCL1
SCHEMBL2912963 0.84 ALDH1A1 (0.42) BCL2L1ITGA4L3MBTL1BCL2CFTR
SCHEMBL2910683 0.83 ALDH1A1 (0.36) BCL2L1ITGA4L3MBTL1NR1H4CFTR
SCHEMBL2910962 0.82 RAB9A (0.39) L3MBTL1ALDH1A1
SCHEMBL2910190 0.81 GPR27 (0.42)

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