SCHEMBL171952

SCHEMBL171952

COc1ccc(NC(=O)CC(=O)NC(C)(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
ALDH1A1 P00352 4/20 0.58
HTT P42858 1/20 0.58
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
SMN1; SMN2 Q16637 5/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
MAPT P10636 3/20 0.55
HDAC3 O15379 2/20 0.55
HDAC4 P56524 2/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC7 Q8WUI4 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC11 Q96DB2 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HDAC9 Q9UKV0 2/20 0.55
HDAC5 Q9UQL6 2/20 0.55

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
SCHEMBL9313874 0.88 L3MBTL1 (0.76) L3MBTL1ALDH1A1HTTMEN1KMT2A
SCHEMBL10973039 0.82 L3MBTL1 (0.63) L3MBTL1ALDH1A1HTTMEN1KMT2A
SCHEMBL10201970 0.82 NPC1 (0.63) L3MBTL1ALDH1A1HTTMEN1KMT2A
SCHEMBL12376621 0.81 POLB (0.75) L3MBTL1ALDH1A1HTTMEN1KMT2A
SCHEMBL15946355 0.81 RAB9A (0.72) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL14817492 0.81 L3MBTL1 (0.67) L3MBTL1ALDH1A1HTTMEN1KMT2A
SCHEMBL12125403 0.80 L3MBTL1 (0.65) L3MBTL1ALDH1A1HTTMEN1KMT2A
SCHEMBL13342363 0.80 ALDH1A1 (0.56) L3MBTL1ALDH1A1HTTMEN1KMT2A
SCHEMBL10201967 0.80 MAPT (0.56) L3MBTL1ALDH1A1HTTMEN1KMT2A
SCHEMBL1117828 0.80 L3MBTL1 (0.69) L3MBTL1ALDH1A1HTTMEN1KMT2A

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
EP-2426108-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors MethylGene Inc. (CA) 2012-03-07 EP disclosed