SCHEMBL689128

SCHEMBL689128

CCN(C(=O)C(=O)O)c1ccc(N)cc1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
THRB P10828 3/20 0.37
KDM4E B2RXH2 3/20 0.37
ALOX15 P16050 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GFER P55789 2/20 0.37
YWHAG P61981 1/20 0.37
ALDH1A1 P00352 5/20 0.37
RECQL P46063 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP3A4 P08684 2/20 0.37
HPGD P15428 2/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
APEX1 P27695 1/20 0.37
BLM P54132 1/20 0.37
MCL1 Q07820 1/20 0.37

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
SCHEMBL688778 0.85 CSNK2A1 (0.37) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL688883 0.84 KEAP1 (0.38) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL689301 0.84 PTPRC (0.34) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL17774836 0.80 HTT (0.44) MAPTMEN1KMT2ATHRBKDM4E
SCHEMBL15490163 0.74 MAPT (0.46) MAPTMEN1KMT2ATHRBKDM4E
SCHEMBL29793691 0.74 MAPT (0.46) MAPTMEN1KMT2ATHRBKDM4E
SCHEMBL17774772 0.74 HCAR3 (0.40) MAPTMEN1KMT2ATHRBKDM4E
SCHEMBL17774833 0.73 MEN1 (0.37) MAPTMEN1KMT2ATHRBKDM4E
Hydrochloric Acid SCHEMBL15486878 0.73 MAPT (0.44) MAPTMEN1KMT2ATHRBKDM4E
SCHEMBL2002664 0.71 PTGDR2 (0.44) MAPTKDM4EALOX15ALDH1A1HPGD

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
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 EP disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed