SCHEMBL1747119

SCHEMBL1747119

CCC(=Cc1ccc(CN(C)c2nc(-c3ccccc3)cs2)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.52
MEN1 O00255 5/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
GSTO1 P78417 5/20 0.49
CPB1 P15086 1/20 0.48
TSHR P16473 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
TBXAS1 P24557 2/20 0.43
DHODH Q02127 1/20 0.42
GRM1 Q13255 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 2/20 0.41

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
SCHEMBL1746506 0.82 KMT2A (0.57) KMT2AMEN1L3MBTL1GSTO1CPB1
SCHEMBL4261629 0.82 KMT2A (0.55) KMT2AMEN1L3MBTL1GSTO1CPB1
SCHEMBL4261635 0.82 KMT2A (0.55) KMT2AMEN1L3MBTL1GSTO1CPB1
SCHEMBL1746621 0.80 KMT2A (0.60) KMT2AMEN1L3MBTL1GSTO1CPB1
SCHEMBL18674599 0.79 KMT2A (0.64) KMT2AMEN1L3MBTL1GSTO1CPB1
SCHEMBL1747118 0.79 KMT2A (0.52) KMT2AMEN1L3MBTL1GSTO1CPB1
SCHEMBL1746662 0.78 KMT2A (0.57) KMT2AMEN1L3MBTL1GSTO1CPB1
SCHEMBL1747124 0.78 KMT2A (0.58) KMT2AMEN1L3MBTL1GSTO1CPB1
SCHEMBL1745189 0.77 GSTO1 (0.54) KMT2AMEN1L3MBTL1GSTO1CPB1
SCHEMBL1747338 0.76 KMT2A (0.56) KMT2AMEN1L3MBTL1GSTO1CPB1

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-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