SCHEMBL28220177

SCHEMBL28220177

CC(=O)N(C[O])N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 2/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
ALOX15 P16050 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RECQL P46063 1/20 0.33
GLA P06280 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PIK3CD O00329 1/20 0.33
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
KMT2A Q03164 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
SCHEMBL5142027 0.73 TSHR (0.42) SMN1; SMN2TSHRHTTPOLBHSD17B10
SCHEMBL424451 0.73 TSHR (0.39) SMN1; SMN2TSHRPOLBMAPTL3MBTL1
SCHEMBL6396268 0.72 POLB (0.43) SMN1; SMN2TSHRHTTPOLBHSD17B10
SCHEMBL4744925 0.71 POLB (0.42) SMN1; SMN2TSHRHTTPOLBHSD17B10
SCHEMBL8939927 0.69 HTT (0.38) SMN1; SMN2TSHRHTTPOLBHSD17B10
SCHEMBL5114693 0.68 TSHR (0.37) SMN1; SMN2TSHRHTTPOLBHSD17B10
SCHEMBL27607927 0.67 POLB (0.39) SMN1; SMN2TSHRHTTPOLBHSD17B10
SCHEMBL28189069 0.67 TSHR (0.40) SMN1; SMN2TSHRHTTPOLBKDM4E
SCHEMBL28005178 0.66 POLB (0.38) SMN1; SMN2TSHRHTTPOLBMAPT
SCHEMBL7015140 0.65 SMN1; SMN2 (0.39) SMN1; SMN2TSHRHTTPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108125961-A Morpholinyl acetylamino anisyl benzo-aza * bases quinazoline compounds are preparing the application in treating leukemia medicament 浙江工业大学 2018-06-08 CN disclosed