SCHEMBL688778

SCHEMBL688778

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
PKM P14618 1/20 0.34
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
PARP1 P09874 1/20 0.33
GLA P06280 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.33
MAP2K2 P36507 1/20 0.33
MAP2K1 Q02750 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ADRA1D P25100 1/20 0.32

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
SCHEMBL689128 0.85 MAPT (0.37) MEN1KMT2APKMALDH1A1POLB
SCHEMBL689301 0.84 PTPRC (0.34) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL688883 0.84 KEAP1 (0.38) MEN1KMT2AALDH1A1PARP1GLA
SCHEMBL688072 0.80 TP53 (0.56) MEN1KMT2APKMALDH1A1POLB
SCHEMBL28587927 0.74 CSNK2A1 (0.35) CSNK2A1MEN1KMT2APOLBPARP1
SCHEMBL14048151 0.74 ALDH1A1 (0.42) CSNK2A1MEN1KMT2AALDH1A1PARP1
SCHEMBL2002664 0.71 PTGDR2 (0.44) ALDH1A1POLBGLATSHRMAPT
SCHEMBL688887 0.71 LMNA (0.41) MEN1KMT2AALDH1A1POLBGLA
SCHEMBL11591359 0.69 MAPT (0.35) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL689046 0.67 RORC (0.40) ALDH1A1GLATSHRMAPTTDP1

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