SCHEMBL1747118

SCHEMBL1747118

CCOC(=O)/C=C/c1ccc(CN(C)c2nc(-c3ccccc3)cs2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.52
MEN1 O00255 6/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
GSTO1 P78417 3/20 0.52
NPSR1 Q6W5P4 1/20 0.47
HTT P42858 1/20 0.46
CPB1 P15086 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MAPT P10636 5/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 4/20 0.43

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
SCHEMBL4261629 0.88 KMT2A (0.55) KMT2AMEN1L3MBTL1GSTO1NPSR1
SCHEMBL4261635 0.88 KMT2A (0.55) KMT2AMEN1L3MBTL1GSTO1NPSR1
SCHEMBL1745189 0.83 GSTO1 (0.54) KMT2AMEN1L3MBTL1GSTO1NPSR1
SCHEMBL1746506 0.80 KMT2A (0.57) KMT2AMEN1L3MBTL1GSTO1NPSR1
SCHEMBL1747119 0.79 KMT2A (0.52) KMT2AMEN1L3MBTL1GSTO1NPSR1
SCHEMBL1746662 0.78 KMT2A (0.57) KMT2AMEN1L3MBTL1GSTO1NPSR1
SCHEMBL1746621 0.78 KMT2A (0.60) KMT2AMEN1L3MBTL1GSTO1NPSR1
SCHEMBL18674599 0.77 KMT2A (0.64) KMT2AMEN1L3MBTL1GSTO1NPSR1
SCHEMBL1746617 0.77 KMT2A (0.50) KMT2AMEN1L3MBTL1GSTO1NPSR1
SCHEMBL1747338 0.76 KMT2A (0.56) KMT2AMEN1L3MBTL1GSTO1NPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385032-A1 GPR40 Receptor function regulator Takeda Pharmaceutical Company Limited (JP) 2011-11-09 EP disclosed
US-7960369-B2 Receptor function regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
CN-1735408-A Receptor function controlling agent TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-15 CN disclosed