SCHEMBL2016114

SCHEMBL2016114

COC(=O)CCn1c(CNC(=O)OC(C)(C)C)nc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
RECQL P46063 1/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.49
TP53 P04637 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL12636626 0.88 L3MBTL1 (0.55) L3MBTL1HPGDSMN1; SMN2RECQLKMT2A
SCHEMBL12635924 0.88 L3MBTL1 (0.57) L3MBTL1HPGDSMN1; SMN2RECQLKMT2A
SCHEMBL12635695 0.88 MEN1 (0.66) L3MBTL1HPGDSMN1; SMN2RECQLKMT2A
SCHEMBL12634827 0.85 HTT (0.57) L3MBTL1HPGDSMN1; SMN2RECQLKMT2A
SCHEMBL12635728 0.85 L3MBTL1 (0.54) L3MBTL1HPGDSMN1; SMN2RECQLKMT2A
SCHEMBL12634804 0.83 LMNA (0.66) L3MBTL1HPGDSMN1; SMN2RECQLKMT2A
SCHEMBL20062853 0.83 L3MBTL1 (0.58) L3MBTL1HPGDSMN1; SMN2RECQLKMT2A
SCHEMBL28366489 0.83 MAPT (0.70) L3MBTL1SMN1; SMN2RECQLKMT2AMEN1
SCHEMBL30466612 0.83 MAPT (0.70) L3MBTL1SMN1; SMN2RECQLKMT2AMEN1
SCHEMBL12635697 0.82 MAPT (0.57) L3MBTL1SMN1; SMN2KMT2AMEN1POLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed