SCHEMBL2019532

SCHEMBL2019532

CCn1c(CNC(=O)c2nc(Cl)c(N)nc2N)nc2cc(C(=O)O)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.49
KMT2A Q03164 8/20 0.48
THRB P10828 7/20 0.48
MEN1 O00255 5/20 0.48
RECQL P46063 4/20 0.48
ALDH1A1 P00352 3/20 0.48
POLB P06746 3/20 0.48
FGB P02675 1/20 0.48
HTT P42858 1/20 0.46
KDM4E B2RXH2 4/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 2/20 0.45
HSP90AA1 P07900 2/20 0.45
HSP90AB1 P08238 2/20 0.45
MAPT P10636 1/20 0.45
PABPC1 P11940 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
YWHAG P61981 1/20 0.42

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
SCHEMBL2017836 0.92 HTT (0.46) HDAC6KMT2ATHRBMEN1RECQL
SCHEMBL2018490 0.91 KDM4E (0.53) HDAC6KMT2ATHRBMEN1RECQL
SCHEMBL2014471 0.89 MAPT (0.52) HDAC6KMT2AMEN1RECQLALDH1A1
SCHEMBL17937045 0.87 HDAC6 (0.43) HDAC6KMT2ATHRBMEN1RECQL
SCHEMBL2019895 0.87 HTT (0.44) HDAC6KMT2AMEN1HTTHSD17B10
Iodide SCHEMBL2019374 0.86 HTT (0.43) HDAC6KMT2AMEN1HTTHSD17B10
SCHEMBL2015349 0.85 HTT (0.57) KMT2AMEN1POLBHTTGAA
SCHEMBL2016173 0.85 HTT (0.42) HDAC6RECQLALDH1A1HTTKDM4E
SCHEMBL2020396 0.84 HTT (0.48) HDAC6KMT2AMEN1HTT
SCHEMBL12635756 0.84 HTT (0.49) HDAC6KMT2AMEN1HTT

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