SCHEMBL12636626

SCHEMBL12636626

COCCn1c(CNC(=O)OC(C)(C)C)nc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
TP53 P04637 2/20 0.52
HPGD P15428 2/20 0.51
POLB P06746 1/20 0.51
RAB9A P51151 3/20 0.50
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.50
RECQL P46063 1/20 0.50
MAPT P10636 1/20 0.50
LMNA P02545 1/20 0.49
NPC1 O15118 1/20 0.49

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
SCHEMBL12635695 0.89 MEN1 (0.66) L3MBTL1KMT2AMEN1SMN1; SMN2TP53
SCHEMBL12635924 0.89 L3MBTL1 (0.57) L3MBTL1KMT2AMEN1SMN1; SMN2TP53
SCHEMBL2016114 0.88 L3MBTL1 (0.54) L3MBTL1KMT2AMEN1SMN1; SMN2TP53
SCHEMBL12634827 0.86 HTT (0.57) L3MBTL1KMT2AMEN1SMN1; SMN2TP53
SCHEMBL12635728 0.86 L3MBTL1 (0.54) L3MBTL1KMT2AMEN1SMN1; SMN2TP53
SCHEMBL12634804 0.84 LMNA (0.66) L3MBTL1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL20062853 0.84 L3MBTL1 (0.58) L3MBTL1KMT2AMEN1SMN1; SMN2TP53
SCHEMBL30466612 0.83 MAPT (0.70) L3MBTL1KMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL28366489 0.83 MAPT (0.70) L3MBTL1KMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL12635697 0.83 MAPT (0.57) L3MBTL1KMT2AMEN1SMN1; SMN2TP53

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