SCHEMBL1421402

SCHEMBL1421402

O=C(OC(=O)N1CCOCC1)N1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
TP53 P04637 2/20 0.54
MEN1 O00255 1/20 0.54
TSHR P16473 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
USP2 O75604 1/20 0.50
MITF O75030 1/20 0.49
ALDH1A1 P00352 1/20 0.49
RECQL P46063 1/20 0.47
LIPA P38571 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL31661884 0.98 TP53 (0.56) KMT2ATP53MEN1TSHRSMN1; SMN2
SCHEMBL30443406 0.86 ALDH1A1 (0.54) KMT2AMEN1TSHRSMN1; SMN2ALDH1A1
SCHEMBL30570915 0.80 TP53 (0.47) KMT2ATP53MEN1TSHRSMN1; SMN2
SCHEMBL8674256 0.79 MEN1 (0.60) KMT2ATP53MEN1TSHRSMN1; SMN2
SCHEMBL4305149 0.79 MEN1 (0.82) KMT2ATP53MEN1TSHRSMN1; SMN2
SCHEMBL2202342 0.79 MEN1 (0.82) KMT2ATP53MEN1TSHRSMN1; SMN2
SCHEMBL11456775 0.78 ALDH1A1 (0.46) KMT2ATP53MEN1SMN1; SMN2ALDH1A1
SCHEMBL3954355 0.77 MEN1 (0.86) KMT2ATP53MEN1TSHRSMN1; SMN2
SCHEMBL6040035 0.77 MEN1 (0.62) KMT2ATP53MEN1TSHRSMN1; SMN2
SCHEMBL6697255 0.77 ALDH1A1 (0.50) KMT2AMEN1TSHRSMN1; SMN2ALDH1A1

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-2297114-A2 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-03-23 EP disclosed
WO-2009154300-A2 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-23 WO disclosed