SCHEMBL2042201

SCHEMBL2042201

CCn1c(C(NC(=O)O)C(C)(C)C)nc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.55
GAA P10253 2/20 0.54
MAPT P10636 1/20 0.53
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
KDM4E B2RXH2 2/20 0.49
MAPK1 P28482 2/20 0.49
RAB9A P51151 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 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
SCHEMBL2040172 0.90 ALDH1A1 (0.52) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL2040358 0.88 LMNA (0.60) NPSR1GAAMAPTHDAC1HDAC6
SCHEMBL2043288 0.88 GAA (0.58) GAAMAPTHDAC1HDAC6POLB
SCHEMBL2043795 0.86 ACSS2 (0.49) NPSR1GAAMAPTHDAC3HDAC4
SCHEMBL2041269 0.85 GAA (0.44) NPSR1GAAMAPTHDAC3HDAC4
SCHEMBL2042632 0.85 HPGD (0.56) GAAMAPTKDM4ERAB9ACASP7
SCHEMBL2039832 0.84 ACSS2 (0.49) GAAALDH1A1
SCHEMBL2038872 0.84 GAA (0.41) NPSR1GAAMAPTHDAC3HDAC4
SCHEMBL2043182 0.83 HDAC1 (0.42) NPSR1GAAMAPTHDAC3HDAC4
SCHEMBL2039016 0.83 ALDH1A1 (0.46) NPSR1GAAHDAC3HDAC1HDAC10

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